1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one

C16H21N3O — CID 133446320

IUPAC1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one
SMILESCCn1ccnc(N(C)CCCc2ccccc2)c1=O
InChIInChI=1S/C16H21N3O/c1-3-19-13-11-17-15(16(19)20)18(2)12-7-10-14-8-5-4-6-9-14/h4-6,8-9,11,13H,3,7,10,12H2,1-2H3
InChIKeyVRNJWUFFNHCXOO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.33
Rot. Bonds6

About 1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one

1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one (PubChem CID 133446320) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one
PubChem CID133446320
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one
SMILESCCn1ccnc(N(C)CCCc2ccccc2)c1=O
InChIInChI=1S/C16H21N3O/c1-3-19-13-11-17-15(16(19)20)18(2)12-7-10-14-8-5-4-6-9-14/h4-6,8-9,11,13H,3,7,10,12H2,1-2H3
InChIKeyVRNJWUFFNHCXOO-UHFFFAOYSA-N
XLogP2.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one (CID 133446320) is 1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one is CCn1ccnc(N(C)CCCc2ccccc2)c1=O.
What is the InChIKey of 1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one?
The InChIKey is VRNJWUFFNHCXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-19-13-11-17-15(16(19)20)18(2)12-7-10-14-8-5-4-6-9-14/h4-6,8-9,11,13H,3,7,10,12H2,1-2H3.
What are the key properties of 1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one?
1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[methyl(3-phenylpropyl)amino]pyrazin-2-one is sourced from PubChem (CID 133446320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).