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

C12H13N3O — CID 13163246

IUPAC3-(dimethylamino)-6-phenyl-1H-pyridazin-4-one
SMILESCN(C)c1n[nH]c(-c2ccccc2)cc1=O
InChIInChI=1S/C12H13N3O/c1-15(2)12-11(16)8-10(13-14-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,16)
InChIKeyMHMLEFKSWIOTOS-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.50
Rot. Bonds2

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

3-(dimethylamino)-6-phenyl-1H-pyridazin-4-one (PubChem CID 13163246) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(dimethylamino)-6-phenyl-1H-pyridazin-4-one.

Molecular Properties

Compound Name3-(dimethylamino)-6-phenyl-1H-pyridazin-4-one
PubChem CID13163246
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(dimethylamino)-6-phenyl-1H-pyridazin-4-one
SMILESCN(C)c1n[nH]c(-c2ccccc2)cc1=O
InChIInChI=1S/C12H13N3O/c1-15(2)12-11(16)8-10(13-14-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,16)
InChIKeyMHMLEFKSWIOTOS-UHFFFAOYSA-N
XLogP1.50
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-6-phenyl-1H-pyridazin-4-one?
The IUPAC name of 3-(dimethylamino)-6-phenyl-1H-pyridazin-4-one (CID 13163246) is 3-(dimethylamino)-6-phenyl-1H-pyridazin-4-one.
What is the SMILES notation for 3-(dimethylamino)-6-phenyl-1H-pyridazin-4-one?
The canonical SMILES for 3-(dimethylamino)-6-phenyl-1H-pyridazin-4-one is CN(C)c1n[nH]c(-c2ccccc2)cc1=O.
What is the InChIKey of 3-(dimethylamino)-6-phenyl-1H-pyridazin-4-one?
The InChIKey is MHMLEFKSWIOTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15(2)12-11(16)8-10(13-14-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,16).
What are the key properties of 3-(dimethylamino)-6-phenyl-1H-pyridazin-4-one?
3-(dimethylamino)-6-phenyl-1H-pyridazin-4-one has a molecular weight of 215.26 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-6-phenyl-1H-pyridazin-4-one is sourced from PubChem (CID 13163246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).