3-methyl-6-thiophen-2-yl-1,2,4-triazine

C8H7N3S — CID 135139824

IUPAC3-methyl-6-thiophen-2-yl-1,2,4-triazine
SMILESCc1ncc(-c2cccs2)nn1
InChIInChI=1S/C8H7N3S/c1-6-9-5-7(11-10-6)8-3-2-4-12-8/h2-5H,1H3
InChIKeyMCBZOSRYKWECTG-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.91
Rot. Bonds1

About 3-methyl-6-thiophen-2-yl-1,2,4-triazine

3-methyl-6-thiophen-2-yl-1,2,4-triazine (PubChem CID 135139824) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is 3-methyl-6-thiophen-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-methyl-6-thiophen-2-yl-1,2,4-triazine
PubChem CID135139824
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC Name3-methyl-6-thiophen-2-yl-1,2,4-triazine
SMILESCc1ncc(-c2cccs2)nn1
InChIInChI=1S/C8H7N3S/c1-6-9-5-7(11-10-6)8-3-2-4-12-8/h2-5H,1H3
InChIKeyMCBZOSRYKWECTG-UHFFFAOYSA-N
XLogP1.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-6-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

Related Compounds

2-methyl-5-thiophen-2-ylpyrimidine
CID 54054310
2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine
CID 23353104
ethane;5-methyl-2-thiophen-2-ylpyridine
CID 143559622
2-chloro-5-thiophen-2-ylpyrazine
CID 16740536
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
5-tert-butyl-2-thiophen-2-ylpyridine
CID 59737214
3-chloro-6-thiophen-2-ylpyridazine
CID 6404701
2-methyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidine
CID 95857470
ethane;propane;2-thiophen-2-ylpyrazine
CID 142831454
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
platinum;bis(2-thiophen-2-ylpyridine)
CID 87764255
7-methylsulfonyl-2-thiophen-2-ylquinoxaline
CID 90740809

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-thiophen-2-yl-1,2,4-triazine?
The IUPAC name of 3-methyl-6-thiophen-2-yl-1,2,4-triazine (CID 135139824) is 3-methyl-6-thiophen-2-yl-1,2,4-triazine.
What is the SMILES notation for 3-methyl-6-thiophen-2-yl-1,2,4-triazine?
The canonical SMILES for 3-methyl-6-thiophen-2-yl-1,2,4-triazine is Cc1ncc(-c2cccs2)nn1.
What is the InChIKey of 3-methyl-6-thiophen-2-yl-1,2,4-triazine?
The InChIKey is MCBZOSRYKWECTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S/c1-6-9-5-7(11-10-6)8-3-2-4-12-8/h2-5H,1H3.
What are the key properties of 3-methyl-6-thiophen-2-yl-1,2,4-triazine?
3-methyl-6-thiophen-2-yl-1,2,4-triazine has a molecular weight of 177.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-thiophen-2-yl-1,2,4-triazine is sourced from PubChem (CID 135139824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).