N,N-diphenyl-1,2,4-triazole-1-carboxamide

C15H12N4O — CID 973777

IUPACN,N-diphenyl-1,2,4-triazole-1-carboxamide
SMILESO=C(N(c1ccccc1)c1ccccc1)n1cncn1
InChIInChI=1S/C15H12N4O/c20-15(18-12-16-11-17-18)19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyFCDHRAMXMUEBCV-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.08
Rot. Bonds2

About N,N-diphenyl-1,2,4-triazole-1-carboxamide

N,N-diphenyl-1,2,4-triazole-1-carboxamide (PubChem CID 973777) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is N,N-diphenyl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN,N-diphenyl-1,2,4-triazole-1-carboxamide
PubChem CID973777
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC NameN,N-diphenyl-1,2,4-triazole-1-carboxamide
SMILESO=C(N(c1ccccc1)c1ccccc1)n1cncn1
InChIInChI=1S/C15H12N4O/c20-15(18-12-16-11-17-18)19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyFCDHRAMXMUEBCV-UHFFFAOYSA-N
XLogP3.08
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-1,2,4-triazole-1-carboxamide?
The IUPAC name of N,N-diphenyl-1,2,4-triazole-1-carboxamide (CID 973777) is N,N-diphenyl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N,N-diphenyl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N,N-diphenyl-1,2,4-triazole-1-carboxamide is O=C(N(c1ccccc1)c1ccccc1)n1cncn1.
What is the InChIKey of N,N-diphenyl-1,2,4-triazole-1-carboxamide?
The InChIKey is FCDHRAMXMUEBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-15(18-12-16-11-17-18)19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H.
What are the key properties of N,N-diphenyl-1,2,4-triazole-1-carboxamide?
N,N-diphenyl-1,2,4-triazole-1-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 973777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).