5-hydroxy-2-propan-2-ylpyridazin-3-one

C7H10N2O2 — CID 129450951

IUPAC5-hydroxy-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(O)cc1=O
InChIInChI=1S/C7H10N2O2/c1-5(2)9-7(11)3-6(10)4-8-9/h3-5,10H,1-2H3
InChIKeyDZTBDIJABLRYQI-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.53
Rot. Bonds1

About 5-hydroxy-2-propan-2-ylpyridazin-3-one

5-hydroxy-2-propan-2-ylpyridazin-3-one (PubChem CID 129450951) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-hydroxy-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-propan-2-ylpyridazin-3-one
PubChem CID129450951
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-hydroxy-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(O)cc1=O
InChIInChI=1S/C7H10N2O2/c1-5(2)9-7(11)3-6(10)4-8-9/h3-5,10H,1-2H3
InChIKeyDZTBDIJABLRYQI-UHFFFAOYSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-2-methyl-2,3-dihydropyridazin-3-one
CID 58493404
5-Hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 57012818
5-Bromo-1-isopropyl-6-hydroxypyridazin-6-one
CID 54706942
2-Tert-butyl-5-hydroxypyridazin-3-one
CID 54702697
4-Chloro-5-hydroxy-2-(propan-2-yl)pyridazin-3(2H)-one
CID 54720250
5-Hydroxy-2-(2-methoxyethyl)pyridazin-3-one
CID 57066440
5-Hydroxy-2-prop-2-ynylpyridazin-3-one
CID 57147962
5-Hydroxy-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 57170722
2-(4-Hydroxy-6-oxopyridazin-1-yl)acetonitrile
CID 57213933
5-Hydroxy-2-(3-oxobutyl)pyridazin-3-one
CID 57239804
5-Hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one
CID 57288840
2-Ethyl-5-methoxy-2,3-dihydropyridazin-3-one
CID 66865616

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 5-hydroxy-2-propan-2-ylpyridazin-3-one (CID 129450951) is 5-hydroxy-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-propan-2-ylpyridazin-3-one is CC(C)n1ncc(O)cc1=O.
What is the InChIKey of 5-hydroxy-2-propan-2-ylpyridazin-3-one?
The InChIKey is DZTBDIJABLRYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(2)9-7(11)3-6(10)4-8-9/h3-5,10H,1-2H3.
What are the key properties of 5-hydroxy-2-propan-2-ylpyridazin-3-one?
5-hydroxy-2-propan-2-ylpyridazin-3-one has a molecular weight of 154.17 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 129450951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).