2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid

C13H11N5O2 — CID 126650403

IUPAC2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1-c1ccnc2c1nnn2N
InChIInChI=1S/C13H11N5O2/c1-7-3-2-4-9(13(19)20)10(7)8-5-6-15-12-11(8)16-17-18(12)14/h2-6H,14H2,1H3,(H,19,20)
InChIKeyVVQRHLMGDHBIFH-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.21
Rot. Bonds2

About 2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid

2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid (PubChem CID 126650403) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid
PubChem CID126650403
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1-c1ccnc2c1nnn2N
InChIInChI=1S/C13H11N5O2/c1-7-3-2-4-9(13(19)20)10(7)8-5-6-15-12-11(8)16-17-18(12)14/h2-6H,14H2,1H3,(H,19,20)
InChIKeyVVQRHLMGDHBIFH-UHFFFAOYSA-N
XLogP1.21
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 170993072
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4-methylquinoline-8-carboxylic acid
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2-amino-3-(2,6-dimethylphenyl)benzoic acid
CID 70207656
7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 103200682
3-methyl-2-[2-(trifluoromethyl)phenyl]benzoic acid
CID 67230455
2-[2-(bromomethyl)phenyl]-3-methylbenzoic acid
CID 68554769
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
2-amino-3-methylbenzoic acid;azane
CID 69400013

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid?
The IUPAC name of 2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid (CID 126650403) is 2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid.
What is the SMILES notation for 2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid?
The canonical SMILES for 2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1-c1ccnc2c1nnn2N.
What is the InChIKey of 2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid?
The InChIKey is VVQRHLMGDHBIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-7-3-2-4-9(13(19)20)10(7)8-5-6-15-12-11(8)16-17-18(12)14/h2-6H,14H2,1H3,(H,19,20).
What are the key properties of 2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid?
2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid has a molecular weight of 269.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminotriazolo[4,5-b]pyridin-7-yl)-3-methylbenzoic acid is sourced from PubChem (CID 126650403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).