3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

C14H18N2O — CID 10537448

IUPAC3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)Cc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C14H18N2O/c1-10(2)9-11-3-5-12(6-4-11)13-7-8-14(17)16-15-13/h3-6,10H,7-9H2,1-2H3,(H,16,17)
InChIKeyFFRYDTUZXRLCNG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.50
Rot. Bonds3

About 3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 10537448) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID10537448
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)Cc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C14H18N2O/c1-10(2)9-11-3-5-12(6-4-11)13-7-8-14(17)16-15-13/h3-6,10H,7-9H2,1-2H3,(H,16,17)
InChIKeyFFRYDTUZXRLCNG-UHFFFAOYSA-N
XLogP2.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 10537448) is 3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is CC(C)Cc1ccc(C2=NNC(=O)CC2)cc1.
What is the InChIKey of 3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is FFRYDTUZXRLCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)9-11-3-5-12(6-4-11)13-7-8-14(17)16-15-13/h3-6,10H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 230.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 10537448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).