4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid

C15H18ClN3O2 — CID 172581585

IUPAC4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCc1nc2c(Cl)cc(CC3CCC(C(=O)O)CC3)cn2n1
InChIInChI=1S/C15H18ClN3O2/c1-9-17-14-13(16)7-11(8-19(14)18-9)6-10-2-4-12(5-3-10)15(20)21/h7-8,10,12H,2-6H2,1H3,(H,20,21)
InChIKeyCBVNOTACQQVYFX-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.12
Rot. Bonds3

About 4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid

4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 172581585) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID172581585
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCc1nc2c(Cl)cc(CC3CCC(C(=O)O)CC3)cn2n1
InChIInChI=1S/C15H18ClN3O2/c1-9-17-14-13(16)7-11(8-19(14)18-9)6-10-2-4-12(5-3-10)15(20)21/h7-8,10,12H,2-6H2,1H3,(H,20,21)
InChIKeyCBVNOTACQQVYFX-UHFFFAOYSA-N
XLogP3.12
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-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

Frequently Asked Questions

What is the IUPAC name of 4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid (CID 172581585) is 4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid is Cc1nc2c(Cl)cc(CC3CCC(C(=O)O)CC3)cn2n1.
What is the InChIKey of 4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is CBVNOTACQQVYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9-17-14-13(16)7-11(8-19(14)18-9)6-10-2-4-12(5-3-10)15(20)21/h7-8,10,12H,2-6H2,1H3,(H,20,21).
What are the key properties of 4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid?
4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 307.78 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 172581585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).