3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one

C18H17N3O2 — CID 18591898

IUPAC3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one
SMILESCOc1ccccc1-n1ccnc(NCc2ccccc2)c1=O
InChIInChI=1S/C18H17N3O2/c1-23-16-10-6-5-9-15(16)21-12-11-19-17(18(21)22)20-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,19,20)
InChIKeyZXIZFXGZJSAQLE-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.85
Rot. Bonds5

About 3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one

3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one (PubChem CID 18591898) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one
PubChem CID18591898
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one
SMILESCOc1ccccc1-n1ccnc(NCc2ccccc2)c1=O
InChIInChI=1S/C18H17N3O2/c1-23-16-10-6-5-9-15(16)21-12-11-19-17(18(21)22)20-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,19,20)
InChIKeyZXIZFXGZJSAQLE-UHFFFAOYSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one?
The IUPAC name of 3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one (CID 18591898) is 3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one.
What is the SMILES notation for 3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one?
The canonical SMILES for 3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one is COc1ccccc1-n1ccnc(NCc2ccccc2)c1=O.
What is the InChIKey of 3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one?
The InChIKey is ZXIZFXGZJSAQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-16-10-6-5-9-15(16)21-12-11-19-17(18(21)22)20-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,19,20).
What are the key properties of 3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one?
3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one has a molecular weight of 307.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one is sourced from PubChem (CID 18591898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).