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

C19H18ClN3O — CID 16956666

IUPAC1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]pyrazin-2-one
SMILESCc1ccc(CNc2nccn(Cc3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C19H18ClN3O/c1-14-2-4-15(5-3-14)12-22-18-19(24)23(11-10-21-18)13-16-6-8-17(20)9-7-16/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyPHBAEIQDTJIHHE-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.87
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]pyrazin-2-one (PubChem CID 16956666) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]pyrazin-2-one
PubChem CID16956666
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]pyrazin-2-one
SMILESCc1ccc(CNc2nccn(Cc3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C19H18ClN3O/c1-14-2-4-15(5-3-14)12-22-18-19(24)23(11-10-21-18)13-16-6-8-17(20)9-7-16/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyPHBAEIQDTJIHHE-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]pyrazin-2-one (CID 16956666) is 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]pyrazin-2-one is Cc1ccc(CNc2nccn(Cc3ccc(Cl)cc3)c2=O)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]pyrazin-2-one?
The InChIKey is PHBAEIQDTJIHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-14-2-4-15(5-3-14)12-22-18-19(24)23(11-10-21-18)13-16-6-8-17(20)9-7-16/h2-11H,12-13H2,1H3,(H,21,22).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]pyrazin-2-one?
1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]pyrazin-2-one has a molecular weight of 339.83 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 16956666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).