(4S)-4,6-dimethyl-4H-pyridazin-3-one

C6H8N2O — CID 98452253

IUPAC(4S)-4,6-dimethyl-4H-pyridazin-3-one
SMILESCC1=C[C@H](C)C(=O)N=N1
InChIInChI=1S/C6H8N2O/c1-4-3-5(2)7-8-6(4)9/h3-4H,1-2H3/t4-/m0/s1
InChIKeyOPWYJGSEXQHVEP-BYPYZUCNSA-N
MW124.14 g/mol
LogP1.52
Rot. Bonds

About (4S)-4,6-dimethyl-4H-pyridazin-3-one

(4S)-4,6-dimethyl-4H-pyridazin-3-one (PubChem CID 98452253) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is (4S)-4,6-dimethyl-4H-pyridazin-3-one.

Molecular Properties

Compound Name(4S)-4,6-dimethyl-4H-pyridazin-3-one
PubChem CID98452253
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name(4S)-4,6-dimethyl-4H-pyridazin-3-one
SMILESCC1=C[C@H](C)C(=O)N=N1
InChIInChI=1S/C6H8N2O/c1-4-3-5(2)7-8-6(4)9/h3-4H,1-2H3/t4-/m0/s1
InChIKeyOPWYJGSEXQHVEP-BYPYZUCNSA-N
XLogP1.52
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,6-dimethyl-4H-pyridazin-3-one?
The IUPAC name of (4S)-4,6-dimethyl-4H-pyridazin-3-one (CID 98452253) is (4S)-4,6-dimethyl-4H-pyridazin-3-one.
What is the SMILES notation for (4S)-4,6-dimethyl-4H-pyridazin-3-one?
The canonical SMILES for (4S)-4,6-dimethyl-4H-pyridazin-3-one is CC1=C[C@H](C)C(=O)N=N1.
What is the InChIKey of (4S)-4,6-dimethyl-4H-pyridazin-3-one?
The InChIKey is OPWYJGSEXQHVEP-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-3-5(2)7-8-6(4)9/h3-4H,1-2H3/t4-/m0/s1.
What are the key properties of (4S)-4,6-dimethyl-4H-pyridazin-3-one?
(4S)-4,6-dimethyl-4H-pyridazin-3-one has a molecular weight of 124.14 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,6-dimethyl-4H-pyridazin-3-one is sourced from PubChem (CID 98452253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).