2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C20H17F3N4O3 — CID 134791206

IUPAC2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(-n2nc3n(c2=O)CCN(C(=O)c2ccc(C(F)(F)F)cc2)C3)cc1
InChIInChI=1S/C20H17F3N4O3/c1-30-16-8-6-15(7-9-16)27-19(29)26-11-10-25(12-17(26)24-27)18(28)13-2-4-14(5-3-13)20(21,22)23/h2-9H,10-12H2,1H3
InChIKeyUZFJWTONRDPDNA-UHFFFAOYSA-N
MW418.38 g/mol
LogP2.72
Rot. Bonds3

About 2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134791206) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134791206
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Name2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(-n2nc3n(c2=O)CCN(C(=O)c2ccc(C(F)(F)F)cc2)C3)cc1
InChIInChI=1S/C20H17F3N4O3/c1-30-16-8-6-15(7-9-16)27-19(29)26-11-10-25(12-17(26)24-27)18(28)13-2-4-14(5-3-13)20(21,22)23/h2-9H,10-12H2,1H3
InChIKeyUZFJWTONRDPDNA-UHFFFAOYSA-N
XLogP2.72
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-(4-Methylpiperazine-1-carbonyl)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 24945677
N-benzoyl-N-[2-(4-methoxy-phenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-benzamide
CID 11533636
4-Benzamido-2-(4-methoxyphenyl)-1,2-dihydro-1,2,4-triazolo[4,3-a]quinoxalin-1-one
CID 11560605
2-(4-methoxyphenyl)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299306
7-(2-methoxybenzoyl)-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134790780
2-(2,4-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134794012
5-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-(4-methoxyphenyl)-4H-1,2,4-triazol-3-one
CID 137299435
5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-(4-methoxyphenyl)-4H-1,2,4-triazol-3-one
CID 137299468
5-[1-(2-fluorobenzoyl)piperidin-3-yl]-2-(4-methoxyphenyl)-4H-1,2,4-triazol-3-one
CID 137299537
[2-[4-(4-Fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone
CID 53200182
{2-[4-(2-fluorophenyl)piperazino]-4,5-dihydro-1H-imidazol-1-yl}(3-methoxyphenyl)methanone
CID 53200194
5-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91809888

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134791206) is 2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1ccc(-n2nc3n(c2=O)CCN(C(=O)c2ccc(C(F)(F)F)cc2)C3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is UZFJWTONRDPDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c1-30-16-8-6-15(7-9-16)27-19(29)26-11-10-25(12-17(26)24-27)18(28)13-2-4-14(5-3-13)20(21,22)23/h2-9H,10-12H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 418.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7-[4-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134791206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).