1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one

C14H16FN3O — CID 133447289

IUPAC1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one
SMILESCCn1ccnc(N(C)Cc2cccc(F)c2)c1=O
InChIInChI=1S/C14H16FN3O/c1-3-18-8-7-16-13(14(18)19)17(2)10-11-5-4-6-12(15)9-11/h4-9H,3,10H2,1-2H3
InChIKeyIQVBBUNXYHSUOQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.04
Rot. Bonds4

About 1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one

1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one (PubChem CID 133447289) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one
PubChem CID133447289
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one
SMILESCCn1ccnc(N(C)Cc2cccc(F)c2)c1=O
InChIInChI=1S/C14H16FN3O/c1-3-18-8-7-16-13(14(18)19)17(2)10-11-5-4-6-12(15)9-11/h4-9H,3,10H2,1-2H3
InChIKeyIQVBBUNXYHSUOQ-UHFFFAOYSA-N
XLogP2.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)methyl-methylamino]-1-ethylpyrazin-2-one
CID 133447307
6-[(3-fluorophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde
CID 80638492
3-[2-bromoethyl(methyl)amino]-1-ethylpyrazin-2-one
CID 80675862
1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine
CID 63969593
3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one
CID 62969926
3-[(3-fluorophenyl)methyl-methylamino]pyridazine-4-carboxylic acid
CID 80517596
3-[[3-(aminomethyl)phenyl]methyl-methylamino]-1-propan-2-ylpyrazin-2-one
CID 62940662
1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one
CID 84597024
3-chloro-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 114561720
4-chloro-5-[(3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one
CID 33287328
3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
CID 62929908
2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 133382201

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one (CID 133447289) is 1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one is CCn1ccnc(N(C)Cc2cccc(F)c2)c1=O.
What is the InChIKey of 1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one?
The InChIKey is IQVBBUNXYHSUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-18-8-7-16-13(14(18)19)17(2)10-11-5-4-6-12(15)9-11/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one?
1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one has a molecular weight of 261.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-fluorophenyl)methyl-methylamino]pyrazin-2-one is sourced from PubChem (CID 133447289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).