5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile

C13H10Cl2N4 — CID 82204197

IUPAC5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile
SMILESN#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1C1CC1
InChIInChI=1S/C13H10Cl2N4/c14-10-4-1-8(5-11(10)15)7-19-13(9-2-3-9)12(6-16)17-18-19/h1,4-5,9H,2-3,7H2
InChIKeyFZSVKZLWUZNOIU-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.38
Rot. Bonds3

About 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile

5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile (PubChem CID 82204197) has the molecular formula C13H10Cl2N4 and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile.

Molecular Properties

Compound Name5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile
PubChem CID82204197
Molecular FormulaC13H10Cl2N4
Molecular Weight293.16 g/mol
Exact Mass292.03
IUPAC Name5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile
SMILESN#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1C1CC1
InChIInChI=1S/C13H10Cl2N4/c14-10-4-1-8(5-11(10)15)7-19-13(9-2-3-9)12(6-16)17-18-19/h1,4-5,9H,2-3,7H2
InChIKeyFZSVKZLWUZNOIU-UHFFFAOYSA-N
XLogP3.38
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile 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-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile
CID 82203196
5-cyclopropyl-1-[(4-nitrophenyl)methyl]triazole-4-carbonitrile
CID 82204141
4-[(4-cyano-5-cyclopropyltriazol-1-yl)methyl]benzoic acid
CID 82203757
5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82211759
5-(oxolan-2-yl)-1-[(4-propan-2-ylphenyl)methyl]triazole-4-carbonitrile
CID 82204244
1-[(2-chlorophenyl)methyl]-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82203405
5-cyclopropyl-1-[3-(4-methoxyphenoxy)propyl]triazole-4-carbonitrile
CID 82209641
1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazole-4-carboxylic acid
CID 62055610
5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine
CID 79547585
1-[2-(4-tert-butylphenoxy)ethyl]-5-cyclopropyltriazole-4-carbonitrile
CID 94945035
5-amino-1-[(3,4-dichlorophenyl)methyl]-3-propylpyrazole-4-carbonitrile
CID 100765984
1-(4-butylphenyl)-5-cyclopropyltriazole-4-carbonitrile
CID 82195929

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile?
The IUPAC name of 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile (CID 82204197) is 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile.
What is the SMILES notation for 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile?
The canonical SMILES for 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile is N#Cc1nnn(Cc2ccc(Cl)c(Cl)c2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile?
The InChIKey is FZSVKZLWUZNOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4/c14-10-4-1-8(5-11(10)15)7-19-13(9-2-3-9)12(6-16)17-18-19/h1,4-5,9H,2-3,7H2.
What are the key properties of 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile?
5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile has a molecular weight of 293.16 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile is sourced from PubChem (CID 82204197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).