2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one

C7H12N2O2 — CID 141343843

IUPAC2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one
SMILESCC1=NN(O)C(=O)CC1(C)C
InChIInChI=1S/C7H12N2O2/c1-5-7(2,3)4-6(10)9(11)8-5/h11H,4H2,1-3H3
InChIKeyBJYZYJPOOSJXHB-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.01
Rot. Bonds

About 2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one

2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one (PubChem CID 141343843) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one.

Molecular Properties

Compound Name2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one
PubChem CID141343843
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one
SMILESCC1=NN(O)C(=O)CC1(C)C
InChIInChI=1S/C7H12N2O2/c1-5-7(2,3)4-6(10)9(11)8-5/h11H,4H2,1-3H3
InChIKeyBJYZYJPOOSJXHB-UHFFFAOYSA-N
XLogP1.01
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

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3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one?
The IUPAC name of 2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one (CID 141343843) is 2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one.
What is the SMILES notation for 2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one?
The canonical SMILES for 2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one is CC1=NN(O)C(=O)CC1(C)C.
What is the InChIKey of 2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one?
The InChIKey is BJYZYJPOOSJXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5-7(2,3)4-6(10)9(11)8-5/h11H,4H2,1-3H3.
What are the key properties of 2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one?
2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one has a molecular weight of 156.18 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one is sourced from PubChem (CID 141343843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).