(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C11H10F2N2O — CID 71576736

IUPAC(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(F)c(F)c1
InChIInChI=1S/C11H10F2N2O/c1-6-4-10(16)14-15-11(6)7-2-3-8(12)9(13)5-7/h2-3,5-6H,4H2,1H3,(H,14,16)/t6-/m1/s1
InChIKeyOVVXDHPMTCWAAJ-ZCFIWIBFSA-N
MW224.21 g/mol
LogP1.82
Rot. Bonds1

About (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 71576736) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID71576736
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(F)c(F)c1
InChIInChI=1S/C11H10F2N2O/c1-6-4-10(16)14-15-11(6)7-2-3-8(12)9(13)5-7/h2-3,5-6H,4H2,1H3,(H,14,16)/t6-/m1/s1
InChIKeyOVVXDHPMTCWAAJ-ZCFIWIBFSA-N
XLogP1.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 154664066
(4R)-3-[3,5-difluoro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137378047
N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide
CID 20516904
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
CID 14623690
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
3-(4-methanehydrazonoylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 154945851
(4R)-3-[4-[3,5-bis(trifluoromethyl)anilino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 171679025
3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 2874648
(4-chlorophenyl)-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid
CID 88735059
(4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 71576770
2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 24740395
2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 24740392

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 71576736) is (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is C[C@@H]1CC(=O)NN=C1c1ccc(F)c(F)c1.
What is the InChIKey of (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is OVVXDHPMTCWAAJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-6-4-10(16)14-15-11(6)7-2-3-8(12)9(13)5-7/h2-3,5-6H,4H2,1H3,(H,14,16)/t6-/m1/s1.
What are the key properties of (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 224.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 71576736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).