5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile

C15H16N4 — CID 82195145

IUPAC5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile
SMILESCCc1ccccc1-n1nnc(C#N)c1C1CCC1
InChIInChI=1S/C15H16N4/c1-2-11-6-3-4-9-14(11)19-15(12-7-5-8-12)13(10-16)17-18-19/h3-4,6,9,12H,2,5,7-8H2,1H3
InChIKeyHCERWJBVLANULK-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.97
Rot. Bonds3

About 5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile

5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile (PubChem CID 82195145) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile.

Molecular Properties

Compound Name5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile
PubChem CID82195145
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile
SMILESCCc1ccccc1-n1nnc(C#N)c1C1CCC1
InChIInChI=1S/C15H16N4/c1-2-11-6-3-4-9-14(11)19-15(12-7-5-8-12)13(10-16)17-18-19/h3-4,6,9,12H,2,5,7-8H2,1H3
InChIKeyHCERWJBVLANULK-UHFFFAOYSA-N
XLogP2.97
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile
CID 82195083
5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile
CID 82199741
5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile
CID 94935763
5-cyclobutyl-1-(4-pyrrolidin-1-ylphenyl)triazole-4-carbonitrile
CID 82199601
5-(2-chlorophenyl)-1-(2-ethylphenyl)triazole-4-carbonitrile
CID 94935754
1-benzyl-5-cyclohexyltriazole-4-carbonitrile
CID 82203030
1-(4-butylphenyl)-5-cyclopropyltriazole-4-carbonitrile
CID 82195929
3-(4-cyano-5-cyclohexyltriazol-1-yl)benzoic acid
CID 82197319
1-(3-chloro-4-methoxyphenyl)-5-cyclobutyltriazole-4-carbonitrile
CID 82196675
1-(4-butoxyphenyl)-5-cyclopropyltriazole-4-carbonitrile
CID 82200464
methyl 3-(4-cyano-5-cyclohexyltriazol-1-yl)benzoate
CID 94940019
5-cyclobutyl-1-(2-ethoxyphenyl)triazole-4-carboxylic acid
CID 82201408

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile?
The IUPAC name of 5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile (CID 82195145) is 5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile.
What is the SMILES notation for 5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile?
The canonical SMILES for 5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile is CCc1ccccc1-n1nnc(C#N)c1C1CCC1.
What is the InChIKey of 5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile?
The InChIKey is HCERWJBVLANULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-11-6-3-4-9-14(11)19-15(12-7-5-8-12)13(10-16)17-18-19/h3-4,6,9,12H,2,5,7-8H2,1H3.
What are the key properties of 5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile?
5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile is sourced from PubChem (CID 82195145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).