2-(1,2,4-triazol-1-yl)propan-1-amine

C5H10N4 — CID 16637242

IUPAC2-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCC(CN)n1cncn1
InChIInChI=1S/C5H10N4/c1-5(2-6)9-4-7-3-8-9/h3-5H,2,6H2,1H3
InChIKeyZDGKUKFHKBGSDZ-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.20
Rot. Bonds2

About 2-(1,2,4-triazol-1-yl)propan-1-amine

2-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 16637242) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID16637242
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name2-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCC(CN)n1cncn1
InChIInChI=1S/C5H10N4/c1-5(2-6)9-4-7-3-8-9/h3-5H,2,6H2,1H3
InChIKeyZDGKUKFHKBGSDZ-UHFFFAOYSA-N
XLogP-0.20
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,2,4-triazol-1-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 2-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of 2-(1,2,4-triazol-1-yl)propan-1-amine (CID 16637242) is 2-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)propan-1-amine is CC(CN)n1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is ZDGKUKFHKBGSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-5(2-6)9-4-7-3-8-9/h3-5H,2,6H2,1H3.
What are the key properties of 2-(1,2,4-triazol-1-yl)propan-1-amine?
2-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 126.16 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 16637242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).