4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid

C14H16N4O2 — CID 82557377

IUPAC4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid
SMILESCC1Cc2nc(N)nn2CC1c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H16N4O2/c1-8-6-12-16-14(15)17-18(12)7-11(8)9-2-4-10(5-3-9)13(19)20/h2-5,8,11H,6-7H2,1H3,(H2,15,17)(H,19,20)
InChIKeyPWCIMKNDKMKMOS-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.53
Rot. Bonds2

About 4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid

4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid (PubChem CID 82557377) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid
PubChem CID82557377
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid
SMILESCC1Cc2nc(N)nn2CC1c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H16N4O2/c1-8-6-12-16-14(15)17-18(12)7-11(8)9-2-4-10(5-3-9)13(19)20/h2-5,8,11H,6-7H2,1H3,(H2,15,17)(H,19,20)
InChIKeyPWCIMKNDKMKMOS-UHFFFAOYSA-N
XLogP1.53
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid with MolForge

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Related Compounds

4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid
CID 82557107
7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557056
4-[(1S,2S)-2-aminocyclopropyl]benzoic acid
CID 124506637
4-[(1S,2R)-2-aminocyclopropyl]benzoic acid;hydrochloride
CID 140688673
7-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70666179
4-(4-methylpiperidin-3-yl)benzoic acid
CID 165482617
4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
CID 138543180
4-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 83855966
3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127928
6-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557124
4-(1-hydroxyazetidin-3-yl)benzoic acid
CID 118601711
1,4-dimethylcyclohexane;terephthalic acid
CID 66647934

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid?
The IUPAC name of 4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid (CID 82557377) is 4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid.
What is the SMILES notation for 4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid?
The canonical SMILES for 4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid is CC1Cc2nc(N)nn2CC1c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid?
The InChIKey is PWCIMKNDKMKMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-6-12-16-14(15)17-18(12)7-11(8)9-2-4-10(5-3-9)13(19)20/h2-5,8,11H,6-7H2,1H3,(H2,15,17)(H,19,20).
What are the key properties of 4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid?
4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid has a molecular weight of 272.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoic acid is sourced from PubChem (CID 82557377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).