5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride

C7H7ClN4O3S — CID 15003653

IUPAC5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
SMILESCOc1nc(C)cc2nc(S(=O)(=O)Cl)nn12
InChIInChI=1S/C7H7ClN4O3S/c1-4-3-5-10-6(16(8,13)14)11-12(5)7(9-4)15-2/h3H,1-2H3
InChIKeyLSZZFHSZXLBXIL-UHFFFAOYSA-N
MW262.68 g/mol
LogP0.37
Rot. Bonds2

About 5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride

5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride (PubChem CID 15003653) has the molecular formula C7H7ClN4O3S and a molecular weight of 262.68 g/mol. Its IUPAC name is 5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
PubChem CID15003653
Molecular FormulaC7H7ClN4O3S
Molecular Weight262.68 g/mol
Exact Mass261.99
IUPAC Name5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
SMILESCOc1nc(C)cc2nc(S(=O)(=O)Cl)nn12
InChIInChI=1S/C7H7ClN4O3S/c1-4-3-5-10-6(16(8,13)14)11-12(5)7(9-4)15-2/h3H,1-2H3
InChIKeyLSZZFHSZXLBXIL-UHFFFAOYSA-N
XLogP0.37
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]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-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride (CID 15003653) is 5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride is COc1nc(C)cc2nc(S(=O)(=O)Cl)nn12.
What is the InChIKey of 5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The InChIKey is LSZZFHSZXLBXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O3S/c1-4-3-5-10-6(16(8,13)14)11-12(5)7(9-4)15-2/h3H,1-2H3.
What are the key properties of 5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride has a molecular weight of 262.68 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 15003653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).