5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

C6H5ClN4O2S — CID 14155108

IUPAC5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCc1ccn2nc(S(=O)(=O)Cl)nc2n1
InChIInChI=1S/C6H5ClN4O2S/c1-4-2-3-11-5(8-4)9-6(10-11)14(7,12)13/h2-3H,1H3
InChIKeyZLKWIPGKQOYHSY-UHFFFAOYSA-N
MW232.65 g/mol
LogP0.36
Rot. Bonds1

About 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (PubChem CID 14155108) has the molecular formula C6H5ClN4O2S and a molecular weight of 232.65 g/mol. Its IUPAC name is 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
PubChem CID14155108
Molecular FormulaC6H5ClN4O2S
Molecular Weight232.65 g/mol
Exact Mass231.98
IUPAC Name5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCc1ccn2nc(S(=O)(=O)Cl)nc2n1
InChIInChI=1S/C6H5ClN4O2S/c1-4-2-3-11-5(8-4)9-6(10-11)14(7,12)13/h2-3H,1H3
InChIKeyZLKWIPGKQOYHSY-UHFFFAOYSA-N
XLogP0.36
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.65
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride 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-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (CID 14155108) is 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is Cc1ccn2nc(S(=O)(=O)Cl)nc2n1.
What is the InChIKey of 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The InChIKey is ZLKWIPGKQOYHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O2S/c1-4-2-3-11-5(8-4)9-6(10-11)14(7,12)13/h2-3H,1H3.
What are the key properties of 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride has a molecular weight of 232.65 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 14155108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).