4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile

C14H14N4 — CID 19003592

IUPAC4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile
SMILESN#Cc1ccc(C2(c3ncn[nH]3)CCCC2)cc1
InChIInChI=1S/C14H14N4/c15-9-11-3-5-12(6-4-11)14(7-1-2-8-14)13-16-10-17-18-13/h3-6,10H,1-2,7-8H2,(H,16,17,18)
InChIKeyAWIMHMSWUQVZFP-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.54
Rot. Bonds2

About 4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile

4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile (PubChem CID 19003592) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile
PubChem CID19003592
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile
SMILESN#Cc1ccc(C2(c3ncn[nH]3)CCCC2)cc1
InChIInChI=1S/C14H14N4/c15-9-11-3-5-12(6-4-11)14(7-1-2-8-14)13-16-10-17-18-13/h3-6,10H,1-2,7-8H2,(H,16,17,18)
InChIKeyAWIMHMSWUQVZFP-UHFFFAOYSA-N
XLogP2.54
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile 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

5-[4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)cyclohexyl]-1H-1,2,4-triazole
CID 155490265
4-[1-(methoxymethyl)cyclopentyl]benzonitrile
CID 67480439
4-[1-(aminomethyl)cyclopropyl]benzonitrile
CID 117276943
4-(1-aminocyclobutyl)benzonitrile;hydrochloride
CID 71742690
4-[1-adamantyl(1H-1,2,4-triazol-5-yl)methyl]benzonitrile
CID 57292804
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[1-[(E)-prop-1-enyl]cyclohexyl]benzonitrile
CID 19380392
4-(1-imidazol-1-ylcyclopentyl)benzonitrile
CID 14231162
4-cyano-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866073
(2R)-N-(4-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785073
4-dimethylboranylbenzonitrile
CID 58436934
4-[(2-hydroxy-2-adamantyl)-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile
CID 54101939

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile?
The IUPAC name of 4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile (CID 19003592) is 4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile.
What is the SMILES notation for 4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile?
The canonical SMILES for 4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile is N#Cc1ccc(C2(c3ncn[nH]3)CCCC2)cc1.
What is the InChIKey of 4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile?
The InChIKey is AWIMHMSWUQVZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-9-11-3-5-12(6-4-11)14(7-1-2-8-14)13-16-10-17-18-13/h3-6,10H,1-2,7-8H2,(H,16,17,18).
What are the key properties of 4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile?
4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-1,2,4-triazol-5-yl)cyclopentyl]benzonitrile is sourced from PubChem (CID 19003592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).