3-(benzylamino)-4-phenyl-1H-pyridazin-6-one

C17H15N3O — CID 71718377

IUPAC3-(benzylamino)-4-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(-c2ccccc2)c(NCc2ccccc2)n[nH]1
InChIInChI=1S/C17H15N3O/c21-16-11-15(14-9-5-2-6-10-14)17(20-19-16)18-12-13-7-3-1-4-8-13/h1-11H,12H2,(H,18,20)(H,19,21)
InChIKeyUROPZWAWTPPCPE-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.05
Rot. Bonds4

About 3-(benzylamino)-4-phenyl-1H-pyridazin-6-one

3-(benzylamino)-4-phenyl-1H-pyridazin-6-one (PubChem CID 71718377) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-(benzylamino)-4-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(benzylamino)-4-phenyl-1H-pyridazin-6-one
PubChem CID71718377
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-(benzylamino)-4-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(-c2ccccc2)c(NCc2ccccc2)n[nH]1
InChIInChI=1S/C17H15N3O/c21-16-11-15(14-9-5-2-6-10-14)17(20-19-16)18-12-13-7-3-1-4-8-13/h1-11H,12H2,(H,18,20)(H,19,21)
InChIKeyUROPZWAWTPPCPE-UHFFFAOYSA-N
XLogP3.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-4-phenyl-1H-pyridazin-6-one?
The IUPAC name of 3-(benzylamino)-4-phenyl-1H-pyridazin-6-one (CID 71718377) is 3-(benzylamino)-4-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(benzylamino)-4-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(benzylamino)-4-phenyl-1H-pyridazin-6-one is O=c1cc(-c2ccccc2)c(NCc2ccccc2)n[nH]1.
What is the InChIKey of 3-(benzylamino)-4-phenyl-1H-pyridazin-6-one?
The InChIKey is UROPZWAWTPPCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-16-11-15(14-9-5-2-6-10-14)17(20-19-16)18-12-13-7-3-1-4-8-13/h1-11H,12H2,(H,18,20)(H,19,21).
What are the key properties of 3-(benzylamino)-4-phenyl-1H-pyridazin-6-one?
3-(benzylamino)-4-phenyl-1H-pyridazin-6-one has a molecular weight of 277.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-4-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 71718377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).