1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one

C19H15F4N5O2 — CID 91957010

IUPAC1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H15F4N5O2/c1-11-16-24-25-18(19(21,22)23)27(16)9-8-26(11)17(30)12-2-7-15(29)28(10-12)14-5-3-13(20)4-6-14/h2-7,10-11H,8-9H2,1H3
InChIKeyFEPJJAWGMIMRLM-UHFFFAOYSA-N
MW421.35 g/mol
LogP2.80
Rot. Bonds2

About 1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one

1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one (PubChem CID 91957010) has the molecular formula C19H15F4N5O2 and a molecular weight of 421.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
PubChem CID91957010
Molecular FormulaC19H15F4N5O2
Molecular Weight421.35 g/mol
Exact Mass421.12
IUPAC Name1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H15F4N5O2/c1-11-16-24-25-18(19(21,22)23)27(16)9-8-26(11)17(30)12-2-7-15(29)28(10-12)14-5-3-13(20)4-6-14/h2-7,10-11H,8-9H2,1H3
InChIKeyFEPJJAWGMIMRLM-UHFFFAOYSA-N
XLogP2.80
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one (CID 91957010) is 1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one is CC1c2nnc(C(F)(F)F)n2CCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The InChIKey is FEPJJAWGMIMRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5O2/c1-11-16-24-25-18(19(21,22)23)27(16)9-8-26(11)17(30)12-2-7-15(29)28(10-12)14-5-3-13(20)4-6-14/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one has a molecular weight of 421.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one is sourced from PubChem (CID 91957010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).