4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

C12H14N2O3 — CID 3024605

IUPAC4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2CO)cc1
InChIInChI=1S/C12H14N2O3/c1-17-10-4-2-8(3-5-10)12-9(7-15)6-11(16)13-14-12/h2-5,9,15H,6-7H2,1H3,(H,13,16)
InChIKeyMZWBNVPXKXCTNT-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.53
Rot. Bonds3

About 4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 3024605) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID3024605
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2CO)cc1
InChIInChI=1S/C12H14N2O3/c1-17-10-4-2-8(3-5-10)12-9(7-15)6-11(16)13-14-12/h2-5,9,15H,6-7H2,1H3,(H,13,16)
InChIKeyMZWBNVPXKXCTNT-UHFFFAOYSA-N
XLogP0.53
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(hydroxymethyl)-3-(4-methoxyphenyl)-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 4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 3024605) is 4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(C2=NNC(=O)CC2CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is MZWBNVPXKXCTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-10-4-2-8(3-5-10)12-9(7-15)6-11(16)13-14-12/h2-5,9,15H,6-7H2,1H3,(H,13,16).
What are the key properties of 4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 234.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 3024605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).