6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C14H9ClN6 — CID 39834512

IUPAC6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc2nnc(-c3cccn3-c3ncccn3)n2c1
InChIInChI=1S/C14H9ClN6/c15-10-4-5-12-18-19-13(21(12)9-10)11-3-1-8-20(11)14-16-6-2-7-17-14/h1-9H
InChIKeyGCLWLXCEKATSPR-UHFFFAOYSA-N
MW296.72 g/mol
LogP2.63
Rot. Bonds2

About 6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 39834512) has the molecular formula C14H9ClN6 and a molecular weight of 296.72 g/mol. Its IUPAC name is 6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID39834512
Molecular FormulaC14H9ClN6
Molecular Weight296.72 g/mol
Exact Mass296.06
IUPAC Name6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc2nnc(-c3cccn3-c3ncccn3)n2c1
InChIInChI=1S/C14H9ClN6/c15-10-4-5-12-18-19-13(21(12)9-10)11-3-1-8-20(11)14-16-6-2-7-17-14/h1-9H
InChIKeyGCLWLXCEKATSPR-UHFFFAOYSA-N
XLogP2.63
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine 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

3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine
CID 55267539
2-(2-methylpyrrol-1-yl)pyrimidine
CID 58408157
6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139760
3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158435
6-chloro-3-[2-(2-methoxyethyl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 39817556
(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257171
6-methyl-3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139491
6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 39771078
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83870127
3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 10248670
6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139739

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 39834512) is 6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccc2nnc(-c3cccn3-c3ncccn3)n2c1.
What is the InChIKey of 6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GCLWLXCEKATSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN6/c15-10-4-5-12-18-19-13(21(12)9-10)11-3-1-8-20(11)14-16-6-2-7-17-14/h1-9H.
What are the key properties of 6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 296.72 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-pyrimidin-2-ylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 39834512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).