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

C15H20N2O2 — CID 919451

IUPAC3-[4-(3-methylbutoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)CCOc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C15H20N2O2/c1-11(2)9-10-19-13-5-3-12(4-6-13)14-7-8-15(18)17-16-14/h3-6,11H,7-10H2,1-2H3,(H,17,18)
InChIKeyCMMKMBQFFQMKAS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.73
Rot. Bonds5

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

3-[4-(3-methylbutoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 919451) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[4-(3-methylbutoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(3-methylbutoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID919451
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[4-(3-methylbutoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)CCOc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C15H20N2O2/c1-11(2)9-10-19-13-5-3-12(4-6-13)14-7-8-15(18)17-16-14/h3-6,11H,7-10H2,1-2H3,(H,17,18)
InChIKeyCMMKMBQFFQMKAS-UHFFFAOYSA-N
XLogP2.73
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylbutoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(3-methylbutoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 919451) is 3-[4-(3-methylbutoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(3-methylbutoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(3-methylbutoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one is CC(C)CCOc1ccc(C2=NNC(=O)CC2)cc1.
What is the InChIKey of 3-[4-(3-methylbutoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is CMMKMBQFFQMKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)9-10-19-13-5-3-12(4-6-13)14-7-8-15(18)17-16-14/h3-6,11H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[4-(3-methylbutoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(3-methylbutoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 260.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylbutoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 919451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).