5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C7H9N5O2S — CID 595832

IUPAC5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(N)(=O)=O)nc2n1
InChIInChI=1S/C7H9N5O2S/c1-4-3-5(2)12-6(9-4)10-7(11-12)15(8,13)14/h3H,1-2H3,(H2,8,13,14)
InChIKeySTBMCMTUSUQSQV-UHFFFAOYSA-N
MW227.25 g/mol
LogP-0.61
Rot. Bonds1

About 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 595832) has the molecular formula C7H9N5O2S and a molecular weight of 227.25 g/mol. Its IUPAC name is 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID595832
Molecular FormulaC7H9N5O2S
Molecular Weight227.25 g/mol
Exact Mass227.05
IUPAC Name5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(N)(=O)=O)nc2n1
InChIInChI=1S/C7H9N5O2S/c1-4-3-5(2)12-6(9-4)10-7(11-12)15(8,13)14/h3H,1-2H3,(H2,8,13,14)
InChIKeySTBMCMTUSUQSQV-UHFFFAOYSA-N
XLogP-0.61
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide 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 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 595832) is 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1cc(C)n2nc(S(N)(=O)=O)nc2n1.
What is the InChIKey of 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is STBMCMTUSUQSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S/c1-4-3-5(2)12-6(9-4)10-7(11-12)15(8,13)14/h3H,1-2H3,(H2,8,13,14).
What are the key properties of 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 227.25 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 595832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).