4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

C25H22N4 — CID 19910726

IUPAC4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
SMILESN#CC(CCc1ccccc1)(Cn1cncn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H22N4/c26-17-25(18-29-20-27-19-28-29,16-15-21-7-3-1-4-8-21)24-13-11-23(12-14-24)22-9-5-2-6-10-22/h1-14,19-20H,15-16,18H2
InChIKeyPYVYJCRCDFCZMB-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.04
Rot. Bonds7

About 4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile (PubChem CID 19910726) has the molecular formula C25H22N4 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile.

Molecular Properties

Compound Name4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
PubChem CID19910726
Molecular FormulaC25H22N4
Molecular Weight378.48 g/mol
Exact Mass378.18
IUPAC Name4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
SMILESN#CC(CCc1ccccc1)(Cn1cncn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H22N4/c26-17-25(18-29-20-27-19-28-29,16-15-21-7-3-1-4-8-21)24-13-11-23(12-14-24)22-9-5-2-6-10-22/h1-14,19-20H,15-16,18H2
InChIKeyPYVYJCRCDFCZMB-UHFFFAOYSA-N
XLogP5.04
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2,4-triazol-1-ylmethyl)-2,4-bis[3-(trifluoromethyl)phenyl]butanenitrile
CID 15036493
2-(3-chlorophenyl)-4-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
CID 15036479
4-(4-chlorophenyl)-2-(2-ethoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
CID 15036518
2-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile
CID 14699393
1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 22905746
(E)-4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)but-3-enenitrile
CID 67877184
2-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
CID 14699394
2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile
CID 13316566
3-phenyl-5-(1,2,4-triazol-1-ylmethyl)benzonitrile
CID 45141157
6,6,6-trifluoro-2-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
CID 54306373
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-yl)butanenitrile
CID 15390071
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide
CID 19956965

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile?
The IUPAC name of 4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile (CID 19910726) is 4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile.
What is the SMILES notation for 4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile?
The canonical SMILES for 4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile is N#CC(CCc1ccccc1)(Cn1cncn1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile?
The InChIKey is PYVYJCRCDFCZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4/c26-17-25(18-29-20-27-19-28-29,16-15-21-7-3-1-4-8-21)24-13-11-23(12-14-24)22-9-5-2-6-10-22/h1-14,19-20H,15-16,18H2.
What are the key properties of 4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile?
4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile has a molecular weight of 378.48 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile is sourced from PubChem (CID 19910726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).