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

C15H12F3N5O4S — CID 90675639

IUPAC5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NS(=O)(=O)c3cccc(OC(F)(F)F)c3)nc2n1
InChIInChI=1S/C15H12F3N5O4S/c1-8-6-9(2)23-14(19-8)20-12(21-23)13(24)22-28(25,26)11-5-3-4-10(7-11)27-15(16,17)18/h3-7H,1-2H3,(H,22,24)
InChIKeyWFAWGZUYHKWWIS-UHFFFAOYSA-N
MW415.35 g/mol
LogP1.76
Rot. Bonds4

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

5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 90675639) has the molecular formula C15H12F3N5O4S and a molecular weight of 415.35 g/mol. Its IUPAC name is 5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID90675639
Molecular FormulaC15H12F3N5O4S
Molecular Weight415.35 g/mol
Exact Mass415.06
IUPAC Name5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NS(=O)(=O)c3cccc(OC(F)(F)F)c3)nc2n1
InChIInChI=1S/C15H12F3N5O4S/c1-8-6-9(2)23-14(19-8)20-12(21-23)13(24)22-28(25,26)11-5-3-4-10(7-11)27-15(16,17)18/h3-7H,1-2H3,(H,22,24)
InChIKeyWFAWGZUYHKWWIS-UHFFFAOYSA-N
XLogP1.76
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 86302434
N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 4851816
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 37357505
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
5,7-dimethyl-N-(2-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2549973
N,5,7-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 38076546
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 60726679
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 41369796
2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide
CID 24662232

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 90675639) is 5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NS(=O)(=O)c3cccc(OC(F)(F)F)c3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WFAWGZUYHKWWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O4S/c1-8-6-9(2)23-14(19-8)20-12(21-23)13(24)22-28(25,26)11-5-3-4-10(7-11)27-15(16,17)18/h3-7H,1-2H3,(H,22,24).
What are the key properties of 5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 415.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 90675639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).