5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H18F3N5O — CID 25494409

IUPAC5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N[C@H]3CCCC[C@@H]3C(F)(F)F)nc2n1
InChIInChI=1S/C15H18F3N5O/c1-8-7-9(2)23-14(19-8)21-12(22-23)13(24)20-11-6-4-3-5-10(11)15(16,17)18/h7,10-11H,3-6H2,1-2H3,(H,20,24)/t10-,11-/m0/s1
InChIKeyBRTVFCUJBCLZOI-QWRGUYRKSA-N
MW341.34 g/mol
LogP2.59
Rot. Bonds2

About 5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 25494409) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID25494409
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N[C@H]3CCCC[C@@H]3C(F)(F)F)nc2n1
InChIInChI=1S/C15H18F3N5O/c1-8-7-9(2)23-14(19-8)21-12(22-23)13(24)20-11-6-4-3-5-10(11)15(16,17)18/h7,10-11H,3-6H2,1-2H3,(H,20,24)/t10-,11-/m0/s1
InChIKeyBRTVFCUJBCLZOI-QWRGUYRKSA-N
XLogP2.59
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-2-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3237142
N-cycloheptyl-2-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3242709
7-(difluoromethyl)-N-(2-fluorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 975110
5-cyclopropyl-N-(2-methylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 842867
2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 2334596
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 4085012
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide
CID 24978817
N-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2088460
2-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide
CID 3238572
N-(2,3-dimethylcyclohexyl)-2-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3241974
N-cyclohexyl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1069851
5-phenyl-N-(1-phenylethyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 3106241

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 25494409) is 5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N[C@H]3CCCC[C@@H]3C(F)(F)F)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BRTVFCUJBCLZOI-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-8-7-9(2)23-14(19-8)21-12(22-23)13(24)20-11-6-4-3-5-10(11)15(16,17)18/h7,10-11H,3-6H2,1-2H3,(H,20,24)/t10-,11-/m0/s1.
What are the key properties of 5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 25494409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).