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

C16H13ClN4O — CID 59589757

IUPACN-[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(Cl)cc3)n2n1)C1CC1
InChIInChI=1S/C16H13ClN4O/c17-12-8-6-10(7-9-12)13-2-1-3-14-18-16(20-21(13)14)19-15(22)11-4-5-11/h1-3,6-9,11H,4-5H2,(H,19,20,22)
InChIKeyIHJHUNABMLXRJX-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.40
Rot. Bonds3

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

N-[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 59589757) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID59589757
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(Cl)cc3)n2n1)C1CC1
InChIInChI=1S/C16H13ClN4O/c17-12-8-6-10(7-9-12)13-2-1-3-14-18-16(20-21(13)14)19-15(22)11-4-5-11/h1-3,6-9,11H,4-5H2,(H,19,20,22)
InChIKeyIHJHUNABMLXRJX-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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 59589757) is N-[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(Cl)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is IHJHUNABMLXRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-12-8-6-10(7-9-12)13-2-1-3-14-18-16(20-21(13)14)19-15(22)11-4-5-11/h1-3,6-9,11H,4-5H2,(H,19,20,22).
What are the key properties of N-[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(4-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-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59589757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).