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

C15H12F3N5O4S — CID 86302434

IUPAC5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NS(=O)(=O)c3ccccc3OC(F)(F)F)nc2n1
InChIInChI=1S/C15H12F3N5O4S/c1-8-7-9(2)23-14(19-8)20-12(21-23)13(24)22-28(25,26)11-6-4-3-5-10(11)27-15(16,17)18/h3-7H,1-2H3,(H,22,24)
InChIKeyCFBNRAWKPULLSQ-UHFFFAOYSA-N
MW415.35 g/mol
LogP1.76
Rot. Bonds4

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

5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 86302434) has the molecular formula C15H12F3N5O4S and a molecular weight of 415.35 g/mol. Its IUPAC name is 5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID86302434
Molecular FormulaC15H12F3N5O4S
Molecular Weight415.35 g/mol
Exact Mass415.06
IUPAC Name5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NS(=O)(=O)c3ccccc3OC(F)(F)F)nc2n1
InChIInChI=1S/C15H12F3N5O4S/c1-8-7-9(2)23-14(19-8)20-12(21-23)13(24)22-28(25,26)11-6-4-3-5-10(11)27-15(16,17)18/h3-7H,1-2H3,(H,22,24)
InChIKeyCFBNRAWKPULLSQ-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-[2-(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-[3-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 90675639
N,5,7-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 38076546
5-methoxy-N-[2-(trifluoromethoxy)phenyl]sulfonylpyrimidine-2-carboxamide
CID 15160173
5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 41369796
N-[2-(2-chlorophenoxy)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 37348111
6-chloro-N-[2-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide
CID 23002410
5,7-dimethyl-N-(2-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2549973
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34733419
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 103895260
N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 103772937
N-(3-benzylsulfonylpropyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 87017202

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 86302434) is 5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NS(=O)(=O)c3ccccc3OC(F)(F)F)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CFBNRAWKPULLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O4S/c1-8-7-9(2)23-14(19-8)20-12(21-23)13(24)22-28(25,26)11-6-4-3-5-10(11)27-15(16,17)18/h3-7H,1-2H3,(H,22,24).
What are the key properties of 5,7-dimethyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[2-(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-[2-(trifluoromethoxy)phenyl]sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 86302434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).