5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C21H20N6O3S — CID 4312580

IUPAC5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)nc2n1
InChIInChI=1S/C21H20N6O3S/c1-14-12-15(2)27-21(22-14)24-19(25-27)20(28)23-16-8-7-11-18(13-16)31(29,30)26(3)17-9-5-4-6-10-17/h4-13H,1-3H3,(H,23,28)
InChIKeyUSCHYPGJLLLCNH-UHFFFAOYSA-N
MW436.50 g/mol
LogP2.82
Rot. Bonds5

About 5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4312580) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is 5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4312580
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC Name5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)nc2n1
InChIInChI=1S/C21H20N6O3S/c1-14-12-15(2)27-21(22-14)24-19(25-27)20(28)23-16-8-7-11-18(13-16)31(29,30)26(3)17-9-5-4-6-10-17/h4-13H,1-3H3,(H,23,28)
InChIKeyUSCHYPGJLLLCNH-UHFFFAOYSA-N
XLogP2.82
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 4312580) is 5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is USCHYPGJLLLCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c1-14-12-15(2)27-21(22-14)24-19(25-27)20(28)23-16-8-7-11-18(13-16)31(29,30)26(3)17-9-5-4-6-10-17/h4-13H,1-3H3,(H,23,28).
What are the key properties of 5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 436.50 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4312580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).