1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine

C6H12N4 — CID 50988205

IUPAC1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCC(N)c1n[nH]c(C)n1
InChIInChI=1S/C6H12N4/c1-3-5(7)6-8-4(2)9-10-6/h5H,3,7H2,1-2H3,(H,8,9,10)
InChIKeyKWCLNZQGWCJRBO-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.52
Rot. Bonds2

About 1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine

1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 50988205) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID50988205
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCC(N)c1n[nH]c(C)n1
InChIInChI=1S/C6H12N4/c1-3-5(7)6-8-4(2)9-10-6/h5H,3,7H2,1-2H3,(H,8,9,10)
InChIKeyKWCLNZQGWCJRBO-UHFFFAOYSA-N
XLogP0.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-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 1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine (CID 50988205) is 1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine is CCC(N)c1n[nH]c(C)n1.
What is the InChIKey of 1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is KWCLNZQGWCJRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-5(7)6-8-4(2)9-10-6/h5H,3,7H2,1-2H3,(H,8,9,10).
What are the key properties of 1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine?
1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 140.19 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 50988205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).