(5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one

C11H12N2O — CID 11159775

IUPAC(5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@H]1CC(c2ccccc2)=NNC1=O
InChIInChI=1S/C11H12N2O/c1-8-7-10(12-13-11(8)14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyMITLKHILFHLTRV-QMMMGPOBSA-N
MW188.23 g/mol
LogP1.55
Rot. Bonds1

About (5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one

(5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 11159775) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID11159775
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@H]1CC(c2ccccc2)=NNC1=O
InChIInChI=1S/C11H12N2O/c1-8-7-10(12-13-11(8)14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyMITLKHILFHLTRV-QMMMGPOBSA-N
XLogP1.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one (CID 11159775) is (5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one is C[C@H]1CC(c2ccccc2)=NNC1=O.
What is the InChIKey of (5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is MITLKHILFHLTRV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-7-10(12-13-11(8)14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
(5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 188.23 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 11159775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).