N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C22H15N5O — CID 2082741

IUPACN-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H15N5O/c23-15-16-11-13-18(14-12-16)24-22(28)20-25-21(17-7-3-1-4-8-17)27(26-20)19-9-5-2-6-10-19/h1-14H,(H,24,28)
InChIKeyIOFDXBMFFSKTFP-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.06
Rot. Bonds4

About N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 2082741) has the molecular formula C22H15N5O and a molecular weight of 365.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID2082741
Molecular FormulaC22H15N5O
Molecular Weight365.40 g/mol
Exact Mass365.13
IUPAC NameN-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H15N5O/c23-15-16-11-13-18(14-12-16)24-22(28)20-25-21(17-7-3-1-4-8-17)27(26-20)19-9-5-2-6-10-19/h1-14H,(H,24,28)
InChIKeyIOFDXBMFFSKTFP-UHFFFAOYSA-N
XLogP4.06
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 2082741) is N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is N#Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is IOFDXBMFFSKTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O/c23-15-16-11-13-18(14-12-16)24-22(28)20-25-21(17-7-3-1-4-8-17)27(26-20)19-9-5-2-6-10-19/h1-14H,(H,24,28).
What are the key properties of N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 2082741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).