4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine

C8H9N5O2S — CID 96592315

IUPAC4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine
SMILESCc1cc(-c2cn[nH]n2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C8H9N5O2S/c1-5-3-6(7-4-9-13-12-7)11-8(10-5)16(2,14)15/h3-4H,1-2H3,(H,9,12,13)
InChIKeyGKUJTGYOZCJNRB-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.03
Rot. Bonds2

About 4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine

4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine (PubChem CID 96592315) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine
PubChem CID96592315
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine
SMILESCc1cc(-c2cn[nH]n2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C8H9N5O2S/c1-5-3-6(7-4-9-13-12-7)11-8(10-5)16(2,14)15/h3-4H,1-2H3,(H,9,12,13)
InChIKeyGKUJTGYOZCJNRB-UHFFFAOYSA-N
XLogP-0.03
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine 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 4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine?
The IUPAC name of 4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine (CID 96592315) is 4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine is Cc1cc(-c2cn[nH]n2)nc(S(C)(=O)=O)n1.
What is the InChIKey of 4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine?
The InChIKey is GKUJTGYOZCJNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-5-3-6(7-4-9-13-12-7)11-8(10-5)16(2,14)15/h3-4H,1-2H3,(H,9,12,13).
What are the key properties of 4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine?
4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine has a molecular weight of 239.26 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfonyl-6-(2H-triazol-4-yl)pyrimidine is sourced from PubChem (CID 96592315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).