5-methoxy-2-methyl-1,2,4-triazol-3-amine

C4H8N4O — CID 12957669

IUPAC5-methoxy-2-methyl-1,2,4-triazol-3-amine
SMILESCOc1nc(N)n(C)n1
InChIInChI=1S/C4H8N4O/c1-8-3(5)6-4(7-8)9-2/h1-2H3,(H2,5,6,7)
InChIKeyQGIHIFRVZMBSCG-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.59
Rot. Bonds1

About 5-methoxy-2-methyl-1,2,4-triazol-3-amine

5-methoxy-2-methyl-1,2,4-triazol-3-amine (PubChem CID 12957669) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methoxy-2-methyl-1,2,4-triazol-3-amine
PubChem CID12957669
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name5-methoxy-2-methyl-1,2,4-triazol-3-amine
SMILESCOc1nc(N)n(C)n1
InChIInChI=1S/C4H8N4O/c1-8-3(5)6-4(7-8)9-2/h1-2H3,(H2,5,6,7)
InChIKeyQGIHIFRVZMBSCG-UHFFFAOYSA-N
XLogP-0.59
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-2-methyl-1,2,4-triazol-3-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 5-methoxy-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-methoxy-2-methyl-1,2,4-triazol-3-amine (CID 12957669) is 5-methoxy-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methoxy-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methoxy-2-methyl-1,2,4-triazol-3-amine is COc1nc(N)n(C)n1.
What is the InChIKey of 5-methoxy-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is QGIHIFRVZMBSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-8-3(5)6-4(7-8)9-2/h1-2H3,(H2,5,6,7).
What are the key properties of 5-methoxy-2-methyl-1,2,4-triazol-3-amine?
5-methoxy-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 128.13 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 12957669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).