1-butyl-5-ethyltriazole-4-carbonitrile

C9H14N4 — CID 69385908

IUPAC1-butyl-5-ethyltriazole-4-carbonitrile
SMILESCCCCn1nnc(C#N)c1CC
InChIInChI=1S/C9H14N4/c1-3-5-6-13-9(4-2)8(7-10)11-12-13/h3-6H2,1-2H3
InChIKeyBWLXHNANDIMPMD-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.51
Rot. Bonds4

About 1-butyl-5-ethyltriazole-4-carbonitrile

1-butyl-5-ethyltriazole-4-carbonitrile (PubChem CID 69385908) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-butyl-5-ethyltriazole-4-carbonitrile.

Molecular Properties

Compound Name1-butyl-5-ethyltriazole-4-carbonitrile
PubChem CID69385908
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-butyl-5-ethyltriazole-4-carbonitrile
SMILESCCCCn1nnc(C#N)c1CC
InChIInChI=1S/C9H14N4/c1-3-5-6-13-9(4-2)8(7-10)11-12-13/h3-6H2,1-2H3
InChIKeyBWLXHNANDIMPMD-UHFFFAOYSA-N
XLogP1.51
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-butyl-5-ethyltriazole-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

1-butyl-5-(2,2-dimethylpropyl)triazole-4-carbonitrile
CID 69385879
1-butyl-5-propan-2-yltriazole-4-carbonitrile
CID 69383147
1-butyl-5-tert-butyltriazole-4-carbonitrile
CID 69383379
1-hexyl-5-(2-methylpropyl)triazole-4-carbonitrile
CID 69388344
1-heptyl-5-methyltriazole-4-carbonitrile
CID 82207993
5-bromo-1-hexyltriazole-4-carbonitrile
CID 69381563
5-benzyl-1-heptyltriazole-4-carbonitrile
CID 82208067
5-(2-cyclohexylethyl)-1-pentyltriazole-4-carbonitrile
CID 82205794
1-heptyl-5-(trichloromethyl)triazole-4-carbonitrile
CID 98824395
1-hexyl-5-[(4-methylphenoxy)methyl]triazole-4-carbonitrile
CID 82206051
1-hexyl-5-[(2-methoxyphenoxy)methyl]triazole-4-carbonitrile
CID 94944092
5-[(2-chlorophenoxy)methyl]-1-pentyltriazole-4-carbonitrile
CID 82205781

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-ethyltriazole-4-carbonitrile?
The IUPAC name of 1-butyl-5-ethyltriazole-4-carbonitrile (CID 69385908) is 1-butyl-5-ethyltriazole-4-carbonitrile.
What is the SMILES notation for 1-butyl-5-ethyltriazole-4-carbonitrile?
The canonical SMILES for 1-butyl-5-ethyltriazole-4-carbonitrile is CCCCn1nnc(C#N)c1CC.
What is the InChIKey of 1-butyl-5-ethyltriazole-4-carbonitrile?
The InChIKey is BWLXHNANDIMPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-3-5-6-13-9(4-2)8(7-10)11-12-13/h3-6H2,1-2H3.
What are the key properties of 1-butyl-5-ethyltriazole-4-carbonitrile?
1-butyl-5-ethyltriazole-4-carbonitrile has a molecular weight of 178.24 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethyltriazole-4-carbonitrile is sourced from PubChem (CID 69385908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).