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

C3H6N4S — CID 69438734

IUPAC5-methyl-1-sulfanyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)nn1S
InChIInChI=1S/C3H6N4S/c1-2-5-3(4)6-7(2)8/h8H,1H3,(H2,4,6)
InChIKeyZIEDEQQENAHKNW-UHFFFAOYSA-N
MW130.18 g/mol
LogP-0.14
Rot. Bonds

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

5-methyl-1-sulfanyl-1,2,4-triazol-3-amine (PubChem CID 69438734) has the molecular formula C3H6N4S and a molecular weight of 130.18 g/mol. Its IUPAC name is 5-methyl-1-sulfanyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-sulfanyl-1,2,4-triazol-3-amine
PubChem CID69438734
Molecular FormulaC3H6N4S
Molecular Weight130.18 g/mol
Exact Mass130.03
IUPAC Name5-methyl-1-sulfanyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)nn1S
InChIInChI=1S/C3H6N4S/c1-2-5-3(4)6-7(2)8/h8H,1H3,(H2,4,6)
InChIKeyZIEDEQQENAHKNW-UHFFFAOYSA-N
XLogP-0.14
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-methyl-1-sulfanyl-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-methyl-1-sulfanyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-methyl-1-sulfanyl-1,2,4-triazol-3-amine (CID 69438734) is 5-methyl-1-sulfanyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methyl-1-sulfanyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methyl-1-sulfanyl-1,2,4-triazol-3-amine is Cc1nc(N)nn1S.
What is the InChIKey of 5-methyl-1-sulfanyl-1,2,4-triazol-3-amine?
The InChIKey is ZIEDEQQENAHKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4S/c1-2-5-3(4)6-7(2)8/h8H,1H3,(H2,4,6).
What are the key properties of 5-methyl-1-sulfanyl-1,2,4-triazol-3-amine?
5-methyl-1-sulfanyl-1,2,4-triazol-3-amine has a molecular weight of 130.18 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-sulfanyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 69438734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).