2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

C14H15ClN4O3 — CID 82557565

IUPAC2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESCOc1ccc(C2Cn3nc(N)nc3CC2C(=O)O)cc1Cl
InChIInChI=1S/C14H15ClN4O3/c1-22-11-3-2-7(4-10(11)15)9-6-19-12(17-14(16)18-19)5-8(9)13(20)21/h2-4,8-9H,5-6H2,1H3,(H2,16,18)(H,20,21)
InChIKeyCUIVRXLYHJPXEY-UHFFFAOYSA-N
MW322.75 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 82557565) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is 2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID82557565
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESCOc1ccc(C2Cn3nc(N)nc3CC2C(=O)O)cc1Cl
InChIInChI=1S/C14H15ClN4O3/c1-22-11-3-2-7(4-10(11)15)9-6-19-12(17-14(16)18-19)5-8(9)13(20)21/h2-4,8-9H,5-6H2,1H3,(H2,16,18)(H,20,21)
InChIKeyCUIVRXLYHJPXEY-UHFFFAOYSA-N
XLogP1.56
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Chloro-4-methoxyphenyl)-1-{3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyrazin-7-YL}ethan-1-one
CID 53193563
6-[2-[3-Chloro-4-(difluoromethoxy)phenyl]ethyl]-6-cyclopentyl-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]oxane-2,4-dione
CID 90901209
2-Amino-6-(2-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82557480
2-Amino-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82557481
2-Amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82557482
2-Amino-6-(2-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82557546
2-Amino-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82557547
2-Amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82557548
2-Amino-6-(2-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82557612
2-Amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82557614
2-Amino-8-(2-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82557678
2-Amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82557680

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 82557565) is 2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is COc1ccc(C2Cn3nc(N)nc3CC2C(=O)O)cc1Cl.
What is the InChIKey of 2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is CUIVRXLYHJPXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c1-22-11-3-2-7(4-10(11)15)9-6-19-12(17-14(16)18-19)5-8(9)13(20)21/h2-4,8-9H,5-6H2,1H3,(H2,16,18)(H,20,21).
What are the key properties of 2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 322.75 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 82557565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).