1-(2,5-dimethyltriazol-4-yl)ethanamine

C6H12N4 — CID 82594205

IUPAC1-(2,5-dimethyltriazol-4-yl)ethanamine
SMILESCc1nn(C)nc1C(C)N
InChIInChI=1S/C6H12N4/c1-4(7)6-5(2)8-10(3)9-6/h4H,7H2,1-3H3
InChIKeySKOOSEMVQQPLSE-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.14
Rot. Bonds1

About 1-(2,5-dimethyltriazol-4-yl)ethanamine

1-(2,5-dimethyltriazol-4-yl)ethanamine (PubChem CID 82594205) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(2,5-dimethyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyltriazol-4-yl)ethanamine
PubChem CID82594205
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-(2,5-dimethyltriazol-4-yl)ethanamine
SMILESCc1nn(C)nc1C(C)N
InChIInChI=1S/C6H12N4/c1-4(7)6-5(2)8-10(3)9-6/h4H,7H2,1-3H3
InChIKeySKOOSEMVQQPLSE-UHFFFAOYSA-N
XLogP0.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethyltriazol-4-yl)ethanamine 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-(2,5-dimethyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethyltriazol-4-yl)ethanamine (CID 82594205) is 1-(2,5-dimethyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethyltriazol-4-yl)ethanamine is Cc1nn(C)nc1C(C)N.
What is the InChIKey of 1-(2,5-dimethyltriazol-4-yl)ethanamine?
The InChIKey is SKOOSEMVQQPLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-4(7)6-5(2)8-10(3)9-6/h4H,7H2,1-3H3.
What are the key properties of 1-(2,5-dimethyltriazol-4-yl)ethanamine?
1-(2,5-dimethyltriazol-4-yl)ethanamine has a molecular weight of 140.19 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyltriazol-4-yl)ethanamine is sourced from PubChem (CID 82594205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).