3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine

C8H7N3S2 — CID 3053020

IUPAC3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine
SMILESCSc1nncc(-c2cccs2)n1
InChIInChI=1S/C8H7N3S2/c1-12-8-10-6(5-9-11-8)7-3-2-4-13-7/h2-5H,1H3
InChIKeyRCEPWGCIEWKWEI-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.32
Rot. Bonds2

About 3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine

3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine (PubChem CID 3053020) has the molecular formula C8H7N3S2 and a molecular weight of 209.30 g/mol. Its IUPAC name is 3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine
PubChem CID3053020
Molecular FormulaC8H7N3S2
Molecular Weight209.30 g/mol
Exact Mass209.01
IUPAC Name3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine
SMILESCSc1nncc(-c2cccs2)n1
InChIInChI=1S/C8H7N3S2/c1-12-8-10-6(5-9-11-8)7-3-2-4-13-7/h2-5H,1H3
InChIKeyRCEPWGCIEWKWEI-UHFFFAOYSA-N
XLogP2.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine 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-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine?
The IUPAC name of 3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine (CID 3053020) is 3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine.
What is the SMILES notation for 3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine?
The canonical SMILES for 3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine is CSc1nncc(-c2cccs2)n1.
What is the InChIKey of 3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine?
The InChIKey is RCEPWGCIEWKWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S2/c1-12-8-10-6(5-9-11-8)7-3-2-4-13-7/h2-5H,1H3.
What are the key properties of 3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine?
3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine has a molecular weight of 209.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine is sourced from PubChem (CID 3053020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).