5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine

C8H14N4S — CID 67008435

IUPAC5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1nc(NC2CCSCC2)n[nH]1
InChIInChI=1S/C8H14N4S/c1-6-9-8(12-11-6)10-7-2-4-13-5-3-7/h7H,2-5H2,1H3,(H2,9,10,11,12)
InChIKeyCHSCQMGUCNWZEE-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.42
Rot. Bonds2

About 5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine

5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 67008435) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine
PubChem CID67008435
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1nc(NC2CCSCC2)n[nH]1
InChIInChI=1S/C8H14N4S/c1-6-9-8(12-11-6)10-7-2-4-13-5-3-7/h7H,2-5H2,1H3,(H2,9,10,11,12)
InChIKeyCHSCQMGUCNWZEE-UHFFFAOYSA-N
XLogP1.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-(thian-4-yl)-1H-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-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine (CID 67008435) is 5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine is Cc1nc(NC2CCSCC2)n[nH]1.
What is the InChIKey of 5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is CHSCQMGUCNWZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-9-8(12-11-6)10-7-2-4-13-5-3-7/h7H,2-5H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine?
5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 198.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(thian-4-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 67008435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).