1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one

C19H19N3O — CID 20941568

IUPAC1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one
SMILESCc1ccc(CNc2nccn(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C19H19N3O/c1-14-3-7-16(8-4-14)13-21-18-19(23)22(12-11-20-18)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeyJXNCUONWSPNNAP-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.46
Rot. Bonds4

About 1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one

1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one (PubChem CID 20941568) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one
PubChem CID20941568
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one
SMILESCc1ccc(CNc2nccn(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C19H19N3O/c1-14-3-7-16(8-4-14)13-21-18-19(23)22(12-11-20-18)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3,(H,20,21)
InChIKeyJXNCUONWSPNNAP-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 1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one (CID 20941568) is 1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one is Cc1ccc(CNc2nccn(-c3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one?
The InChIKey is JXNCUONWSPNNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-3-7-16(8-4-14)13-21-18-19(23)22(12-11-20-18)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3,(H,20,21).
What are the key properties of 1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one?
1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]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 1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 20941568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).