3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine

C9H8N4S — CID 13423192

IUPAC3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine
SMILESCSc1ncc(-c2ccccn2)nn1
InChIInChI=1S/C9H8N4S/c1-14-9-11-6-8(12-13-9)7-4-2-3-5-10-7/h2-6H,1H3
InChIKeyNXZSGCJNGURQKC-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.66
Rot. Bonds2

About 3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine

3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine (PubChem CID 13423192) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine
PubChem CID13423192
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine
SMILESCSc1ncc(-c2ccccn2)nn1
InChIInChI=1S/C9H8N4S/c1-14-9-11-6-8(12-13-9)7-4-2-3-5-10-7/h2-6H,1H3
InChIKeyNXZSGCJNGURQKC-UHFFFAOYSA-N
XLogP1.66
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methylsulfanyl-6-pyridin-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

Related Compounds

cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
propane;2-pyridin-2-ylpyridine
CID 158168510
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
pyrrolo[3,2-b]azepine
CID 66934182
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine?
The IUPAC name of 3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine (CID 13423192) is 3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine.
What is the SMILES notation for 3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine?
The canonical SMILES for 3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine is CSc1ncc(-c2ccccn2)nn1.
What is the InChIKey of 3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine?
The InChIKey is NXZSGCJNGURQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S/c1-14-9-11-6-8(12-13-9)7-4-2-3-5-10-7/h2-6H,1H3.
What are the key properties of 3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine?
3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine has a molecular weight of 204.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6-pyridin-2-yl-1,2,4-triazine is sourced from PubChem (CID 13423192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).