3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide

Modify Date: 2026-09-20 19:54:33

3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide Structure
3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide structure
Common Name 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide
CAS Number 71503-85-0 Molecular Weight 177.16000
Density N/A Boiling Point N/A
Molecular Formula C8H7N3O2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Molecular Formula C8H7N3O2
Molecular Weight 177.16000
Exact Mass 177.05400
PSA 63.81000
LogP 1.40020
InChIKey MKBFUWNOXMDMCG-UHFFFAOYSA-N
SMILES Cc1nn([O-])c2ccccc2[n+]1=O

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

~81%

3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide Structure

3-methyl-1-oxid...

CAS#:71503-85-0

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Literature: Hay, Michael P.; Pchalek, Karin; Pruijn, Frederik B.; Hicks, Kevin O.; Siim, Bronwyn G.; Anderson, Robert F.; Shinde, Sujata S.; Phillips, Victoria; Denny, William A.; Wilson, William R. Journal of Medicinal Chemistry, 2007 , vol. 50, # 26 p. 6654 - 6664

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3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide Structure

3-methyl-1-oxid...

CAS#:71503-85-0

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Literature: Gatenyo, Julia; Johnson, Kevin; Rajapakse, Anuruddha; Gates, Kent S.; Rozen, Shlomo Tetrahedron, 2012 , vol. 68, # 43 p. 8942 - 8944

~%

3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide Structure

3-methyl-1-oxid...

CAS#:71503-85-0

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Literature: Junnotula, Venkatraman; Sarkar, Ujjal; Barnes, Charles L.; Thallapally, Praveen K.; Gates, Kent S. Journal of Chemical Crystallography, 2006 , vol. 36, # 9 p. 557 - 561

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Detail Learn More
Literature: Atallah, Raja H.; Nazer, Musa Z. Tetrahedron, 1982 , vol. 38, # 12 p. 1793 - 1796

~%

3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide Structure

3-methyl-1-oxid...

CAS#:71503-85-0

Learn More
Literature: Atallah, Raja H.; Nazer, Musa Z. Tetrahedron, 1982 , vol. 38, # 12 p. 1793 - 1796

~%

3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide Structure

3-methyl-1-oxid...

CAS#:71503-85-0

Learn More
Literature: Atallah, Raja H.; Nazer, Musa Z. Tetrahedron, 1982 , vol. 38, # 12 p. 1793 - 1796

~%

Detail Learn More
Literature: Atallah, Raja H.; Nazer, Musa Z. Tetrahedron, 1982 , vol. 38, # 12 p. 1793 - 1796

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  3

DownStream  1

 Bioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Ratio of IC50 for SiHa cells in aerobic condition to IC50 for SiHa cells in hypoxic c...
Source: ChEMBL
Target: SiHa
External Id: CHEMBL903065
Name: Diffusion coefficient, D in aerobic HT29 multicellular layers
Source: ChEMBL
Target: HT-29
External Id: CHEMBL903066
Name: Drug penetration in anoxic HT29 cells assessed as penetration half distance
Source: ChEMBL
Target: HT-29
External Id: CHEMBL903067
Name: Cell viability in anoxic HT29 cells assessed as drug level providing 10% surviving fr...
Source: ChEMBL
Target: HT-29
External Id: CHEMBL903068
Name: Cytotoxicity against HT29 cells under hypoxic condition after 4 hrs
Source: ChEMBL
Target: HT-29
External Id: CHEMBL903062
Name: Ratio of IC50 for HT29 cells in aerobic condition to IC50 for HT29 cells in hypoxic c...
Source: ChEMBL
Target: HT-29
External Id: CHEMBL903063
Name: Cytotoxicity against SiHa cells under hypoxic condition after 4 hrs
Source: ChEMBL
Target: SiHa
External Id: CHEMBL903064
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1

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

3-Methyl-1,4-benzotriazine 1,4-dioxide
3-Methylbenzotriazin-1,4-dioxid
3-methyl-1,2,4-benzotriazine 1,4-dioxide
3-methyl-benzo[e][1,2,4]triazine 1,4-dioxide
1,2,4-benzotriazine,3-methyl-,1,4-dioxide

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the downstream products of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide?
A: Related downstream products(CAS) of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide: 51110-87-3.
Q: What English synonyms does 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide have?
A: English synonyms of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide: 3-Methyl-1,4-benzotriazine 1,4-dioxide, 3-Methylbenzotriazin-1,4-dioxid, 3-methyl-1,2,4-benzotriazine 1,4-dioxide, 3-methyl-benzo[e][1,2,4]triazine 1,4-dioxide, 1,2,4-benzotriazine,3-methyl-,1,4-dioxide.
Q: What is the English name of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide?
A: The English name of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide is 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide.
Q: What is the molecular formula of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide?
A: Molecular formula of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide is C8H7N3O2.
Q: What is the CAS number of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide?
A: CAS number of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide is 71503-85-0.
Q: What is the polar surface area (PSA) of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide?
A: Polar surface area (PSA) of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide is 63.81000.
Q: What is the LogP of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide?
A: LogP of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide is 1.40020.
Q: What is the Chinese name of 71503-85-0?
A: Chinese name of 71503-85-0 is 71503-85-0.
Q: What is the molecular weight of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide?
A: Molecular weight of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide is 177.16000.
Q: What are the upstream materials of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide?
A: Related upstream materials(CAS) of 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide: 51110-87-3;6299-94-1;4413-30-3.
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