2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine

C13H12N4O2S — CID 175920294

IUPAC2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2ccnc(-c3ccc(S(C)(=O)=O)cc3)n2n1
InChIInChI=1S/C13H12N4O2S/c1-9-15-12-7-8-14-13(17(12)16-9)10-3-5-11(6-4-10)20(2,18)19/h3-8H,1-2H3
InChIKeyZCXDSDOLNPPIHW-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.50
Rot. Bonds2

About 2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine

2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 175920294) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID175920294
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2ccnc(-c3ccc(S(C)(=O)=O)cc3)n2n1
InChIInChI=1S/C13H12N4O2S/c1-9-15-12-7-8-14-13(17(12)16-9)10-3-5-11(6-4-10)20(2,18)19/h3-8H,1-2H3
InChIKeyZCXDSDOLNPPIHW-UHFFFAOYSA-N
XLogP1.50
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine (CID 175920294) is 2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1nc2ccnc(-c3ccc(S(C)(=O)=O)cc3)n2n1.
What is the InChIKey of 2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is ZCXDSDOLNPPIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-9-15-12-7-8-14-13(17(12)16-9)10-3-5-11(6-4-10)20(2,18)19/h3-8H,1-2H3.
What are the key properties of 2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 288.33 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 175920294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).