N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

C15H18F3N5O — CID 18145140

IUPACN-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC(C)C1CC1
InChIInChI=1S/C15H18F3N5O/c1-7(10-4-5-10)19-12(24)6-11-8(2)20-14-21-13(15(16,17)18)22-23(14)9(11)3/h7,10H,4-6H2,1-3H3,(H,19,24)
InChIKeyHBNFSMLZQLJFIZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.22
Rot. Bonds4

About N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide (PubChem CID 18145140) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
PubChem CID18145140
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC(C)C1CC1
InChIInChI=1S/C15H18F3N5O/c1-7(10-4-5-10)19-12(24)6-11-8(2)20-14-21-13(15(16,17)18)22-23(14)9(11)3/h7,10H,4-6H2,1-3H3,(H,19,24)
InChIKeyHBNFSMLZQLJFIZ-UHFFFAOYSA-N
XLogP2.22
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 16620852
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 51889059
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 30237729
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 42030755
N-cyclopentyl-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 17445392
N-[(1R)-1-(4-chlorophenyl)propyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 26288257
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutan-2-yl)propanamide
CID 51265365
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 18152465
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 16622528
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 8824227
N-[1-(3,4-diethoxyphenyl)ethyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 43067902
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-naphthalen-2-ylacetamide
CID 24615564

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide (CID 18145140) is N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The InChIKey is HBNFSMLZQLJFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-7(10-4-5-10)19-12(24)6-11-8(2)20-14-21-13(15(16,17)18)22-23(14)9(11)3/h7,10H,4-6H2,1-3H3,(H,19,24).
What are the key properties of N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 18145140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).