5-hydroxy-2-(2-methylpropyl)pyridazin-3-one

C8H12N2O2 — CID 129450962

IUPAC5-hydroxy-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(O)cc1=O
InChIInChI=1S/C8H12N2O2/c1-6(2)5-10-8(12)3-7(11)4-9-10/h3-4,6,11H,5H2,1-2H3
InChIKeyFBANGSDBBBANHH-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.60
Rot. Bonds2

About 5-hydroxy-2-(2-methylpropyl)pyridazin-3-one

5-hydroxy-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 129450962) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(2-methylpropyl)pyridazin-3-one
PubChem CID129450962
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-hydroxy-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(O)cc1=O
InChIInChI=1S/C8H12N2O2/c1-6(2)5-10-8(12)3-7(11)4-9-10/h3-4,6,11H,5H2,1-2H3
InChIKeyFBANGSDBBBANHH-UHFFFAOYSA-N
XLogP0.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.60
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
2-(2-Methylpropyl)pyridazin-3-one
CID 23018253
2-Tert-butyl-5-hydroxypyridazin-3-one
CID 54702697
5-Hydroxy-2-prop-2-ynylpyridazin-3-one
CID 57147962
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
4-Chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one
CID 67364897
5-Hydroxy-2-propan-2-ylpyridazin-3-one
CID 129450951
2-Butyl-5-hydroxy-4-methylpyridazin-3-one
CID 154023466
5-Iodo-2-(2-methylpropyl)pyridazin-3-one
CID 114553478

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-2-(2-methylpropyl)pyridazin-3-one (CID 129450962) is 5-hydroxy-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(O)cc1=O.
What is the InChIKey of 5-hydroxy-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is FBANGSDBBBANHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(2)5-10-8(12)3-7(11)4-9-10/h3-4,6,11H,5H2,1-2H3.
What are the key properties of 5-hydroxy-2-(2-methylpropyl)pyridazin-3-one?
5-hydroxy-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 129450962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).