2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one

C10H16N2O2 — CID 62849795

IUPAC2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one
SMILESCC(C)(C)C(O)Cn1ncccc1=O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8(13)7-12-9(14)5-4-6-11-12/h4-6,8,13H,7H2,1-3H3
InChIKeyXSSOOOIDYZODKV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.65
Rot. Bonds2

About 2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one

2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one (PubChem CID 62849795) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one
PubChem CID62849795
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one
SMILESCC(C)(C)C(O)Cn1ncccc1=O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8(13)7-12-9(14)5-4-6-11-12/h4-6,8,13H,7H2,1-3H3
InChIKeyXSSOOOIDYZODKV-UHFFFAOYSA-N
XLogP0.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one (CID 62849795) is 2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one is CC(C)(C)C(O)Cn1ncccc1=O.
What is the InChIKey of 2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one?
The InChIKey is XSSOOOIDYZODKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)8(13)7-12-9(14)5-4-6-11-12/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one?
2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one has a molecular weight of 196.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3,3-dimethylbutyl)pyridazin-3-one is sourced from PubChem (CID 62849795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).