1,5-dibenzyltriazole-4-carbonitrile

C17H14N4 — CID 82203072

IUPAC1,5-dibenzyltriazole-4-carbonitrile
SMILESN#Cc1nnn(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C17H14N4/c18-12-16-17(11-14-7-3-1-4-8-14)21(20-19-16)13-15-9-5-2-6-10-15/h1-10H,11,13H2
InChIKeyGDCGGHXOCJRBHR-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.79
Rot. Bonds4

About 1,5-dibenzyltriazole-4-carbonitrile

1,5-dibenzyltriazole-4-carbonitrile (PubChem CID 82203072) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1,5-dibenzyltriazole-4-carbonitrile.

Molecular Properties

Compound Name1,5-dibenzyltriazole-4-carbonitrile
PubChem CID82203072
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name1,5-dibenzyltriazole-4-carbonitrile
SMILESN#Cc1nnn(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C17H14N4/c18-12-16-17(11-14-7-3-1-4-8-14)21(20-19-16)13-15-9-5-2-6-10-15/h1-10H,11,13H2
InChIKeyGDCGGHXOCJRBHR-UHFFFAOYSA-N
XLogP2.79
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-[(4-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82203075
5-benzyl-1-heptyltriazole-4-carbonitrile
CID 82208067
1-benzyl-5-cyclohexyltriazole-4-carbonitrile
CID 82203030
1-benzyl-5-(2,3,4,5,6-pentafluorophenyl)triazole-4-carbonitrile
CID 11695985
(1,5-dibenzyltriazol-4-yl)methanamine
CID 82203152
5-benzyl-1-(3-chlorophenyl)triazole-4-carbonitrile
CID 82200377
5-(2-phenylethyl)-1-propyltriazole-4-carbonitrile
CID 82204999
5-benzyl-1-(4-propan-2-ylphenyl)triazole-4-carbonitrile
CID 82197643
1-benzyl-5-(3,4-dimethylphenyl)triazole-4-carbonitrile
CID 82203066
5-[(4-fluorophenyl)methyl]-1-phenyltriazole-4-carbonitrile
CID 82200187
5-[(4-methoxyphenyl)methyl]-1-propyltriazole-4-carbonitrile
CID 82204993
5-butyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile
CID 82203184

Frequently Asked Questions

What is the IUPAC name of 1,5-dibenzyltriazole-4-carbonitrile?
The IUPAC name of 1,5-dibenzyltriazole-4-carbonitrile (CID 82203072) is 1,5-dibenzyltriazole-4-carbonitrile.
What is the SMILES notation for 1,5-dibenzyltriazole-4-carbonitrile?
The canonical SMILES for 1,5-dibenzyltriazole-4-carbonitrile is N#Cc1nnn(Cc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 1,5-dibenzyltriazole-4-carbonitrile?
The InChIKey is GDCGGHXOCJRBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-12-16-17(11-14-7-3-1-4-8-14)21(20-19-16)13-15-9-5-2-6-10-15/h1-10H,11,13H2.
What are the key properties of 1,5-dibenzyltriazole-4-carbonitrile?
1,5-dibenzyltriazole-4-carbonitrile has a molecular weight of 274.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibenzyltriazole-4-carbonitrile is sourced from PubChem (CID 82203072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).