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

C19H19ClF3N5O — CID 26288257

IUPACN-[(1R)-1-(4-chlorophenyl)propyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCC[C@@H](NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClF3N5O/c1-4-15(12-5-7-13(20)8-6-12)25-16(29)9-14-10(2)24-18-26-17(19(21,22)23)27-28(18)11(14)3/h5-8,15H,4,9H2,1-3H3,(H,25,29)/t15-/m1/s1
InChIKeyBKFYGLXDIXRESV-OAHLLOKOSA-N
MW425.84 g/mol
LogP4.22
Rot. Bonds5

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

N-[(1R)-1-(4-chlorophenyl)propyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide (PubChem CID 26288257) has the molecular formula C19H19ClF3N5O and a molecular weight of 425.84 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)propyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)propyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
PubChem CID26288257
Molecular FormulaC19H19ClF3N5O
Molecular Weight425.84 g/mol
Exact Mass425.12
IUPAC NameN-[(1R)-1-(4-chlorophenyl)propyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCC[C@@H](NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClF3N5O/c1-4-15(12-5-7-13(20)8-6-12)25-16(29)9-14-10(2)24-18-26-17(19(21,22)23)27-28(18)11(14)3/h5-8,15H,4,9H2,1-3H3,(H,25,29)/t15-/m1/s1
InChIKeyBKFYGLXDIXRESV-OAHLLOKOSA-N
XLogP4.22
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(1-cyclopropylethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 18145140
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-pentan-3-ylpropanamide
CID 134030154
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
5-chloro-N'-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl]-2-methoxybenzohydrazide
CID 24615597
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylmethoxyacetamide
CID 18146763
N-cycloheptyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 16620852
(4-methylphenyl) 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 24615566
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-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoylamino]butanoic acid
CID 119223730
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-ethyl-N-(2-methylphenyl)acetamide
CID 47022174
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16621163

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)propyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The IUPAC name of 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) is N-[(1R)-1-(4-chlorophenyl)propyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)propyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)propyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is CC[C@@H](NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)propyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The InChIKey is BKFYGLXDIXRESV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19ClF3N5O/c1-4-15(12-5-7-13(20)8-6-12)25-16(29)9-14-10(2)24-18-26-17(19(21,22)23)27-28(18)11(14)3/h5-8,15H,4,9H2,1-3H3,(H,25,29)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)propyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
N-[(1R)-1-(4-chlorophenyl)propyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide has a molecular weight of 425.84 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)propyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 26288257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).