2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile

C17H14N4O2 — CID 71793557

IUPAC2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1nc(-c2ccco2)n(C2CC2)c1=O
InChIInChI=1S/C17H14N4O2/c18-10-12-4-1-2-5-13(12)11-20-17(22)21(14-7-8-14)16(19-20)15-6-3-9-23-15/h1-6,9,14H,7-8,11H2
InChIKeyOYPJCPKFFGWEJL-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.56
Rot. Bonds4

About 2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile

2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile (PubChem CID 71793557) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile
PubChem CID71793557
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1nc(-c2ccco2)n(C2CC2)c1=O
InChIInChI=1S/C17H14N4O2/c18-10-12-4-1-2-5-13(12)11-20-17(22)21(14-7-8-14)16(19-20)15-6-3-9-23-15/h1-6,9,14H,7-8,11H2
InChIKeyOYPJCPKFFGWEJL-UHFFFAOYSA-N
XLogP2.56
TPSA76.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile 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 2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile (CID 71793557) is 2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile is N#Cc1ccccc1Cn1nc(-c2ccco2)n(C2CC2)c1=O.
What is the InChIKey of 2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile?
The InChIKey is OYPJCPKFFGWEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c18-10-12-4-1-2-5-13(12)11-20-17(22)21(14-7-8-14)16(19-20)15-6-3-9-23-15/h1-6,9,14H,7-8,11H2.
What are the key properties of 2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile?
2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile has a molecular weight of 306.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 71793557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).