N-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C16H13ClN4O — CID 24798487

IUPACN-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3cccc(Cl)c3)n2n1)C1CC1
InChIInChI=1S/C16H13ClN4O/c17-12-4-1-3-11(9-12)13-5-2-6-14-18-16(20-21(13)14)19-15(22)10-7-8-10/h1-6,9-10H,7-8H2,(H,19,20,22)
InChIKeyPHBDHHUATHARRH-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.40
Rot. Bonds3

About N-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 24798487) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID24798487
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3cccc(Cl)c3)n2n1)C1CC1
InChIInChI=1S/C16H13ClN4O/c17-12-4-1-3-11(9-12)13-5-2-6-14-18-16(20-21(13)14)19-15(22)10-7-8-10/h1-6,9-10H,7-8H2,(H,19,20,22)
InChIKeyPHBDHHUATHARRH-UHFFFAOYSA-N
XLogP3.40
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide 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 N-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 24798487) is N-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3cccc(Cl)c3)n2n1)C1CC1.
What is the InChIKey of N-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is PHBDHHUATHARRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-12-4-1-3-11(9-12)13-5-2-6-14-18-16(20-21(13)14)19-15(22)10-7-8-10/h1-6,9-10H,7-8H2,(H,19,20,22).
What are the key properties of N-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24798487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).