3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one

C17H16F2N2O — CID 137463889

IUPAC3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1(F)C=C(C2=NNC(=O)CC2)C=CC1c1ccccc1F
InChIInChI=1S/C17H16F2N2O/c1-17(19)10-11(15-8-9-16(22)21-20-15)6-7-13(17)12-4-2-3-5-14(12)18/h2-7,10,13H,8-9H2,1H3,(H,21,22)
InChIKeyVWCQYAJUTRSWSU-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.40
Rot. Bonds2

About 3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one

3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137463889) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is 3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137463889
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1(F)C=C(C2=NNC(=O)CC2)C=CC1c1ccccc1F
InChIInChI=1S/C17H16F2N2O/c1-17(19)10-11(15-8-9-16(22)21-20-15)6-7-13(17)12-4-2-3-5-14(12)18/h2-7,10,13H,8-9H2,1H3,(H,21,22)
InChIKeyVWCQYAJUTRSWSU-UHFFFAOYSA-N
XLogP3.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-fluoro-4-(2-fluorophenyl)-3-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

6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 242935
4-benzyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 2725675
3-Phenyl-5-pyrazolone
CID 78577
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
N-(1,3-diphenylpropan-2-ylideneamino)cyclopropanecarboxamide
CID 4175602
5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one
CID 5151511
N'-(1-phenylbutylidene)cyclopropanecarbohydrazide
CID 6384615
2,2-dimethyl-N'-(4-phenylcyclohexylidene)propanehydrazide
CID 24819039
N'-(1-methyl-3-phenylpropylidene)bicyclo[4.1.0]heptane-7-carbohydrazide
CID 6049016
Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-, (+-)-
CID 3078594
6-(4-Fluorophenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 605878
6-(4-isopropylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1471687

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one (CID 137463889) is 3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one is CC1(F)C=C(C2=NNC(=O)CC2)C=CC1c1ccccc1F.
What is the InChIKey of 3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is VWCQYAJUTRSWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O/c1-17(19)10-11(15-8-9-16(22)21-20-15)6-7-13(17)12-4-2-3-5-14(12)18/h2-7,10,13H,8-9H2,1H3,(H,21,22).
What are the key properties of 3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one?
3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 302.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(2-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-yl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137463889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).