3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile

C8H10N4 — CID 155749460

IUPAC3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile
SMILESCn1cnnc1C1CC(C#N)C1
InChIInChI=1S/C8H10N4/c1-12-5-10-11-8(12)7-2-6(3-7)4-9/h5-7H,2-3H2,1H3
InChIKeyKCYRMVYICBDOFV-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.83
Rot. Bonds1

About 3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile

3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile (PubChem CID 155749460) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile
PubChem CID155749460
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile
SMILESCn1cnnc1C1CC(C#N)C1
InChIInChI=1S/C8H10N4/c1-12-5-10-11-8(12)7-2-6(3-7)4-9/h5-7H,2-3H2,1H3
InChIKeyKCYRMVYICBDOFV-UHFFFAOYSA-N
XLogP0.83
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile (CID 155749460) is 3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile is Cn1cnnc1C1CC(C#N)C1.
What is the InChIKey of 3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile?
The InChIKey is KCYRMVYICBDOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-12-5-10-11-8(12)7-2-6(3-7)4-9/h5-7H,2-3H2,1H3.
What are the key properties of 3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile?
3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile has a molecular weight of 162.20 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 155749460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).