1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide

C20H15N5O — CID 900901

IUPAC1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H15N5O/c26-20(22-17-13-7-8-14-21-17)18-23-19(15-9-3-1-4-10-15)25(24-18)16-11-5-2-6-12-16/h1-14H,(H,21,22,26)
InChIKeyPCZGDUYZOAFJDV-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.58
Rot. Bonds4

About 1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide

1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 900901) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID900901
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H15N5O/c26-20(22-17-13-7-8-14-21-17)18-23-19(15-9-3-1-4-10-15)25(24-18)16-11-5-2-6-12-16/h1-14H,(H,21,22,26)
InChIKeyPCZGDUYZOAFJDV-UHFFFAOYSA-N
XLogP3.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide (CID 900901) is 1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide is O=C(Nc1ccccn1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is PCZGDUYZOAFJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c26-20(22-17-13-7-8-14-21-17)18-23-19(15-9-3-1-4-10-15)25(24-18)16-11-5-2-6-12-16/h1-14H,(H,21,22,26).
What are the key properties of 1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide?
1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-N-pyridin-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 900901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).