3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid

C13H14N4O2 — CID 82557041

IUPAC3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid
SMILESNc1nc2n(n1)CCCC2c1cccc(C(=O)O)c1
InChIInChI=1S/C13H14N4O2/c14-13-15-11-10(5-2-6-17(11)16-13)8-3-1-4-9(7-8)12(18)19/h1,3-4,7,10H,2,5-6H2,(H2,14,16)(H,18,19)
InChIKeyFWIZBMVFXOMPKD-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.48
Rot. Bonds2

About 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid

3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid (PubChem CID 82557041) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid
PubChem CID82557041
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid
SMILESNc1nc2n(n1)CCCC2c1cccc(C(=O)O)c1
InChIInChI=1S/C13H14N4O2/c14-13-15-11-10(5-2-6-17(11)16-13)8-3-1-4-9(7-8)12(18)19/h1,3-4,7,10H,2,5-6H2,(H2,14,16)(H,18,19)
InChIKeyFWIZBMVFXOMPKD-UHFFFAOYSA-N
XLogP1.48
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid with MolForge

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Related Compounds

2-amino-8-(3-carboxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82557710
3-(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117158357
4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 142375283
9-(3-chloro-5-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 139331734
cyclopropyl-[(7S)-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
CID 154984536
4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid
CID 82557107
3-[(3S)-1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidin-3-yl]benzoic acid
CID 97210347
3-[(2S)-oxolan-2-yl]benzoic acid
CID 99934746
2-amino-8-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82557686
3-(2-hydroxycyclopropyl)benzoic acid
CID 115015082
3-[(3R)-1-[2-(cyclopropylmethylsulfanyl)acetyl]piperidin-3-yl]benzoic acid
CID 97190325
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
CID 50742353

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid?
The IUPAC name of 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid (CID 82557041) is 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid.
What is the SMILES notation for 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid?
The canonical SMILES for 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid is Nc1nc2n(n1)CCCC2c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid?
The InChIKey is FWIZBMVFXOMPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-13-15-11-10(5-2-6-17(11)16-13)8-3-1-4-9(7-8)12(18)19/h1,3-4,7,10H,2,5-6H2,(H2,14,16)(H,18,19).
What are the key properties of 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid?
3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid is sourced from PubChem (CID 82557041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).