3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C15H21N3O — CID 71576739

IUPAC3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCCN(CC)c1ccc(C2=NNC(=O)CC2C)cc1
InChIInChI=1S/C15H21N3O/c1-4-18(5-2)13-8-6-12(7-9-13)15-11(3)10-14(19)16-17-15/h6-9,11H,4-5,10H2,1-3H3,(H,16,19)
InChIKeyKQXRMGFFTUWZBC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.39
Rot. Bonds4

About 3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 71576739) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID71576739
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCCN(CC)c1ccc(C2=NNC(=O)CC2C)cc1
InChIInChI=1S/C15H21N3O/c1-4-18(5-2)13-8-6-12(7-9-13)15-11(3)10-14(19)16-17-15/h6-9,11H,4-5,10H2,1-3H3,(H,16,19)
InChIKeyKQXRMGFFTUWZBC-UHFFFAOYSA-N
XLogP2.39
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 71576739) is 3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CCN(CC)c1ccc(C2=NNC(=O)CC2C)cc1.
What is the InChIKey of 3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is KQXRMGFFTUWZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18(5-2)13-8-6-12(7-9-13)15-11(3)10-14(19)16-17-15/h6-9,11H,4-5,10H2,1-3H3,(H,16,19).
What are the key properties of 3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 259.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 71576739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).