2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one

C19H19N3O — CID 155818522

IUPAC2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one
SMILESCc1c(NCc2ccccc2-c2ccccc2)cnn(C)c1=O
InChIInChI=1S/C19H19N3O/c1-14-18(13-21-22(2)19(14)23)20-12-16-10-6-7-11-17(16)15-8-4-3-5-9-15/h3-11,13,20H,12H2,1-2H3
InChIKeyJLOICACPNWZYGI-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.37
Rot. Bonds4

About 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one

2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one (PubChem CID 155818522) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one
PubChem CID155818522
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one
SMILESCc1c(NCc2ccccc2-c2ccccc2)cnn(C)c1=O
InChIInChI=1S/C19H19N3O/c1-14-18(13-21-22(2)19(14)23)20-12-16-10-6-7-11-17(16)15-8-4-3-5-9-15/h3-11,13,20H,12H2,1-2H3
InChIKeyJLOICACPNWZYGI-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one?
The IUPAC name of 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one (CID 155818522) is 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one?
The canonical SMILES for 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one is Cc1c(NCc2ccccc2-c2ccccc2)cnn(C)c1=O.
What is the InChIKey of 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one?
The InChIKey is JLOICACPNWZYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-18(13-21-22(2)19(14)23)20-12-16-10-6-7-11-17(16)15-8-4-3-5-9-15/h3-11,13,20H,12H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one?
2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one has a molecular weight of 305.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 155818522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).