3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one

C19H19N3O — CID 20941608

IUPAC3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one
SMILESCc1cc(C)cc(-n2ccnc(NCc3ccccc3)c2=O)c1
InChIInChI=1S/C19H19N3O/c1-14-10-15(2)12-17(11-14)22-9-8-20-18(19(22)23)21-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeyNXPKJUGOCUGDMT-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.46
Rot. Bonds4

About 3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one

3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one (PubChem CID 20941608) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one
PubChem CID20941608
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one
SMILESCc1cc(C)cc(-n2ccnc(NCc3ccccc3)c2=O)c1
InChIInChI=1S/C19H19N3O/c1-14-10-15(2)12-17(11-14)22-9-8-20-18(19(22)23)21-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeyNXPKJUGOCUGDMT-UHFFFAOYSA-N
XLogP3.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one?
The IUPAC name of 3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one (CID 20941608) is 3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one.
What is the SMILES notation for 3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one?
The canonical SMILES for 3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one is Cc1cc(C)cc(-n2ccnc(NCc3ccccc3)c2=O)c1.
What is the InChIKey of 3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one?
The InChIKey is NXPKJUGOCUGDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-10-15(2)12-17(11-14)22-9-8-20-18(19(22)23)21-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,20,21).
What are the key properties of 3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one?
3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one is sourced from PubChem (CID 20941608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).