3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one

C19H16F3N3O2 — CID 16956648

IUPAC3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one
SMILESCOc1ccc(CNc2nccn(-c3cccc(C(F)(F)F)c3)c2=O)cc1
InChIInChI=1S/C19H16F3N3O2/c1-27-16-7-5-13(6-8-16)12-24-17-18(26)25(10-9-23-17)15-4-2-3-14(11-15)19(20,21)22/h2-11H,12H2,1H3,(H,23,24)
InChIKeyNTFHKRQZKBFNOE-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.87
Rot. Bonds5

About 3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one

3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one (PubChem CID 16956648) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one
PubChem CID16956648
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one
SMILESCOc1ccc(CNc2nccn(-c3cccc(C(F)(F)F)c3)c2=O)cc1
InChIInChI=1S/C19H16F3N3O2/c1-27-16-7-5-13(6-8-16)12-24-17-18(26)25(10-9-23-17)15-4-2-3-14(11-15)19(20,21)22/h2-11H,12H2,1H3,(H,23,24)
InChIKeyNTFHKRQZKBFNOE-UHFFFAOYSA-N
XLogP3.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one (CID 16956648) is 3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one is COc1ccc(CNc2nccn(-c3cccc(C(F)(F)F)c3)c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one?
The InChIKey is NTFHKRQZKBFNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-27-16-7-5-13(6-8-16)12-24-17-18(26)25(10-9-23-17)15-4-2-3-14(11-15)19(20,21)22/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of 3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one?
3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one has a molecular weight of 375.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one is sourced from PubChem (CID 16956648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).