5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile

C14H14N4 — CID 82203196

IUPAC5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile
SMILESCc1ccc(Cn2nnc(C#N)c2C2CC2)cc1
InChIInChI=1S/C14H14N4/c1-10-2-4-11(5-3-10)9-18-14(12-6-7-12)13(8-15)16-17-18/h2-5,12H,6-7,9H2,1H3
InChIKeyILGVYZWYNFJGAM-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.38
Rot. Bonds3

About 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile

5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile (PubChem CID 82203196) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile.

Molecular Properties

Compound Name5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile
PubChem CID82203196
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile
SMILESCc1ccc(Cn2nnc(C#N)c2C2CC2)cc1
InChIInChI=1S/C14H14N4/c1-10-2-4-11(5-3-10)9-18-14(12-6-7-12)13(8-15)16-17-18/h2-5,12H,6-7,9H2,1H3
InChIKeyILGVYZWYNFJGAM-UHFFFAOYSA-N
XLogP2.38
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile
CID 82204197
5-cyclopropyl-1-[(4-nitrophenyl)methyl]triazole-4-carbonitrile
CID 82204141
4-[(4-cyano-5-cyclopropyltriazol-1-yl)methyl]benzoic acid
CID 82203757
1-benzyl-5-cyclohexyltriazole-4-carbonitrile
CID 82203030
5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine
CID 79547585
[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203271
5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82211759
1-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)triazole-4-carbonitrile
CID 94943213
5-butyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile
CID 82203184
5-(oxolan-2-yl)-1-[(4-propan-2-ylphenyl)methyl]triazole-4-carbonitrile
CID 82204244
5-(3,4-difluorophenyl)-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile
CID 94943181
4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66438813

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile?
The IUPAC name of 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile (CID 82203196) is 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile.
What is the SMILES notation for 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile?
The canonical SMILES for 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile is Cc1ccc(Cn2nnc(C#N)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile?
The InChIKey is ILGVYZWYNFJGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-2-4-11(5-3-10)9-18-14(12-6-7-12)13(8-15)16-17-18/h2-5,12H,6-7,9H2,1H3.
What are the key properties of 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile?
5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile is sourced from PubChem (CID 82203196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).