3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one

C16H12FN3O — CID 146214496

IUPAC3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1Nc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12FN3O/c17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)20-15-16(21)19-10-9-18-15/h1-10H,(H,18,20)(H,19,21)
InChIKeyHMZISWHEBGAYLB-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.32
Rot. Bonds3

About 3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one

3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one (PubChem CID 146214496) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one
PubChem CID146214496
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1Nc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12FN3O/c17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)20-15-16(21)19-10-9-18-15/h1-10H,(H,18,20)(H,19,21)
InChIKeyHMZISWHEBGAYLB-UHFFFAOYSA-N
XLogP3.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one (CID 146214496) is 3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one is O=c1[nH]ccnc1Nc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one?
The InChIKey is HMZISWHEBGAYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)20-15-16(21)19-10-9-18-15/h1-10H,(H,18,20)(H,19,21).
What are the key properties of 3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one?
3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one has a molecular weight of 281.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)anilino]-1H-pyrazin-2-one is sourced from PubChem (CID 146214496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).