2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine

C8H16N4 — CID 24690685

IUPAC2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCC(C)C(N)c1nncn1C
InChIInChI=1S/C8H16N4/c1-4-6(2)7(9)8-11-10-5-12(8)3/h5-7H,4,9H2,1-3H3
InChIKeyHVSUZQKENXBSHS-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.86
Rot. Bonds3

About 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine

2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 24690685) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID24690685
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCC(C)C(N)c1nncn1C
InChIInChI=1S/C8H16N4/c1-4-6(2)7(9)8-11-10-5-12(8)3/h5-7H,4,9H2,1-3H3
InChIKeyHVSUZQKENXBSHS-UHFFFAOYSA-N
XLogP0.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine 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 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine (CID 24690685) is 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine is CCC(C)C(N)c1nncn1C.
What is the InChIKey of 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is HVSUZQKENXBSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-6(2)7(9)8-11-10-5-12(8)3/h5-7H,4,9H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine?
2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 24690685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).