3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one

C11H14N2O — CID 172568849

IUPAC3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1=CC(C2=NNC(=O)CC2)=CCC1
InChIInChI=1S/C11H14N2O/c1-8-3-2-4-9(7-8)10-5-6-11(14)13-12-10/h4,7H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyHJFYVESIJIOIRP-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.92
Rot. Bonds1

About 3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one

3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 172568849) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID172568849
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1=CC(C2=NNC(=O)CC2)=CCC1
InChIInChI=1S/C11H14N2O/c1-8-3-2-4-9(7-8)10-5-6-11(14)13-12-10/h4,7H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyHJFYVESIJIOIRP-UHFFFAOYSA-N
XLogP1.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-methylcyclohexa-1,5-dien-1-yl)-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

Related Compounds

4-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 68248453
3-(Pent-3-en-1-yl)-1H-pyrazol-5(4H)-one
CID 69488772
3H-Pyrazol-3-one, 2,4-dihydro-5-(3-pentenyl)-
CID 69488774
(4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one
CID 123338280
4-Propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one
CID 134578028
2,4-Dihydrocyclohepta[c]pyridazin-3-one
CID 140248005
3-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 142842094
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane
CID 143672104
3-(5-methylcyclohepta-1,3,6-trien-1-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 153393787
3-[3-(2-aminoethyl)cyclohexa-1,3-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 155148873
4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium
CID 159997452
2,4,5,5a-Tetrahydro-1,2-benzodiazepin-3-one
CID 163798107

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 172568849) is 3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one is CC1=CC(C2=NNC(=O)CC2)=CCC1.
What is the InChIKey of 3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is HJFYVESIJIOIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-3-2-4-9(7-8)10-5-6-11(14)13-12-10/h4,7H,2-3,5-6H2,1H3,(H,13,14).
What are the key properties of 3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one?
3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 190.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylcyclohexa-1,5-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 172568849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).