7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H14F3N5O — CID 18084276

IUPAC7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NC(C)c3cccc(C(F)(F)F)c3)nn12
InChIInChI=1S/C16H14F3N5O/c1-9-6-7-20-15-22-13(23-24(9)15)14(25)21-10(2)11-4-3-5-12(8-11)16(17,18)19/h3-8,10H,1-2H3,(H,21,25)
InChIKeyAWFDQIJUORTUJZ-UHFFFAOYSA-N
MW349.32 g/mol
LogP2.94
Rot. Bonds3

About 7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 18084276) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID18084276
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NC(C)c3cccc(C(F)(F)F)c3)nn12
InChIInChI=1S/C16H14F3N5O/c1-9-6-7-20-15-22-13(23-24(9)15)14(25)21-10(2)11-4-3-5-12(8-11)16(17,18)19/h3-8,10H,1-2H3,(H,21,25)
InChIKeyAWFDQIJUORTUJZ-UHFFFAOYSA-N
XLogP2.94
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8751718
7-methyl-N-[1-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18082474
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25405053
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
5-phenyl-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1101564
2,5-dimethyl-1-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrole-3-carboxamide
CID 112764014
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446
(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 55973253
2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide
CID 67508804
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26177639
N-[(S)-cyclohexyl(phenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 39594944
1-[(2-methylpyrimidin-4-yl)methyl]-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 94651117

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 18084276) is 7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NC(C)c3cccc(C(F)(F)F)c3)nn12.
What is the InChIKey of 7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AWFDQIJUORTUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-9-6-7-20-15-22-13(23-24(9)15)14(25)21-10(2)11-4-3-5-12(8-11)16(17,18)19/h3-8,10H,1-2H3,(H,21,25).
What are the key properties of 7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 349.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 18084276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).