(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine

C6H12N4 — CID 50988295

IUPAC(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCC(C)n1cnnc1CN
InChIInChI=1S/C6H12N4/c1-5(2)10-4-8-9-6(10)3-7/h4-5H,3,7H2,1-2H3
InChIKeyOWZRZTYYKXCIAI-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.32
Rot. Bonds2

About (4-propan-2-yl-1,2,4-triazol-3-yl)methanamine

(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 50988295) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is (4-propan-2-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID50988295
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCC(C)n1cnnc1CN
InChIInChI=1S/C6H12N4/c1-5(2)10-4-8-9-6(10)3-7/h4-5H,3,7H2,1-2H3
InChIKeyOWZRZTYYKXCIAI-UHFFFAOYSA-N
XLogP0.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-propan-2-yl-1,2,4-triazol-3-yl)methanamine 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 (4-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (4-propan-2-yl-1,2,4-triazol-3-yl)methanamine (CID 50988295) is (4-propan-2-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (4-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (4-propan-2-yl-1,2,4-triazol-3-yl)methanamine is CC(C)n1cnnc1CN.
What is the InChIKey of (4-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is OWZRZTYYKXCIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5(2)10-4-8-9-6(10)3-7/h4-5H,3,7H2,1-2H3.
What are the key properties of (4-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 140.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 50988295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).