2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C14H12F3N5O2 — CID 135629987

IUPAC2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1Cn2ncnc2NC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N5O2/c15-14(16,17)9-2-1-3-10(5-9)20-11(23)4-8-6-22-13(18-7-19-22)21-12(8)24/h1-3,5,7-8H,4,6H2,(H,20,23)(H,18,19,21,24)
InChIKeyXTPCDMGKAZHBHM-UHFFFAOYSA-N
MW339.28 g/mol
LogP1.89
Rot. Bonds3

About 2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 135629987) has the molecular formula C14H12F3N5O2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID135629987
Molecular FormulaC14H12F3N5O2
Molecular Weight339.28 g/mol
Exact Mass339.09
IUPAC Name2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1Cn2ncnc2NC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N5O2/c15-14(16,17)9-2-1-3-10(5-9)20-11(23)4-8-6-22-13(18-7-19-22)21-12(8)24/h1-3,5,7-8H,4,6H2,(H,20,23)(H,18,19,21,24)
InChIKeyXTPCDMGKAZHBHM-UHFFFAOYSA-N
XLogP1.89
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide
CID 2959882
N-(4-fluorophenyl)-7-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
CID 4976594
N-(3,5-dimethylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 2980588
N-(4-fluorophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 4886256
N-(3,4-dimethylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 4887374
N-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 2985272
3-(1,2,4-Triazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 24791793
N-(3-methylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 4891890
N-(2-methylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 4896840
N-[3,5-bis(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide
CID 5296928
US11370784, Example 83
CID 141758420
N-(4-methylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 2969267

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 135629987) is 2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CC1Cn2ncnc2NC1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XTPCDMGKAZHBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2/c15-14(16,17)9-2-1-3-10(5-9)20-11(23)4-8-6-22-13(18-7-19-22)21-12(8)24/h1-3,5,7-8H,4,6H2,(H,20,23)(H,18,19,21,24).
What are the key properties of 2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 339.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 135629987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).