3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine

C6H10N4O — CID 90819096

IUPAC3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine
SMILESCC1OC1(N)Cn1cncn1
InChIInChI=1S/C6H10N4O/c1-5-6(7,11-5)2-10-4-8-3-9-10/h3-5H,2,7H2,1H3
InChIKeyYQMPMTGACIAFRY-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.65
Rot. Bonds2

About 3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine

3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine (PubChem CID 90819096) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine.

Molecular Properties

Compound Name3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine
PubChem CID90819096
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine
SMILESCC1OC1(N)Cn1cncn1
InChIInChI=1S/C6H10N4O/c1-5-6(7,11-5)2-10-4-8-3-9-10/h3-5H,2,7H2,1H3
InChIKeyYQMPMTGACIAFRY-UHFFFAOYSA-N
XLogP-0.65
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-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 3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine?
The IUPAC name of 3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine (CID 90819096) is 3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine.
What is the SMILES notation for 3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine?
The canonical SMILES for 3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine is CC1OC1(N)Cn1cncn1.
What is the InChIKey of 3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine?
The InChIKey is YQMPMTGACIAFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-5-6(7,11-5)2-10-4-8-3-9-10/h3-5H,2,7H2,1H3.
What are the key properties of 3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine?
3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine has a molecular weight of 154.17 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,2,4-triazol-1-ylmethyl)oxiran-2-amine is sourced from PubChem (CID 90819096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).