4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one

C8H12N2O2 — CID 169128874

IUPAC4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one
SMILESCc1c(CC(C)O)cn[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-5(11)3-7-4-9-10-8(12)6(7)2/h4-5,11H,3H2,1-2H3,(H,10,12)
InChIKeyXVEAAIQOPHDKIC-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.00
Rot. Bonds2

About 4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one

4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one (PubChem CID 169128874) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one
PubChem CID169128874
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one
SMILESCc1c(CC(C)O)cn[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-5(11)3-7-4-9-10-8(12)6(7)2/h4-5,11H,3H2,1-2H3,(H,10,12)
InChIKeyXVEAAIQOPHDKIC-UHFFFAOYSA-N
XLogP0.00
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 83675533
3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
CID 83834819
4,5-dipentyl-1H-pyridazin-6-one
CID 174602267
5-methyl-4-(2-methylbutyl)-1H-pyrazole
CID 118581492
ethyl 6-oxo-4-propan-2-yl-1H-pyridazine-5-carboxylate
CID 54528927
2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 62961134
1-(1H-pyrazol-4-yl)propan-2-ol
CID 83675069
4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole
CID 155459840
methyl 2-(4-ethyl-6-oxo-1H-pyridazin-5-yl)acetate
CID 142690703
2-methyl-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 105423638
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
CID 117114492
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104621851

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one?
The IUPAC name of 4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one (CID 169128874) is 4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one?
The canonical SMILES for 4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one is Cc1c(CC(C)O)cn[nH]c1=O.
What is the InChIKey of 4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one?
The InChIKey is XVEAAIQOPHDKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(11)3-7-4-9-10-8(12)6(7)2/h4-5,11H,3H2,1-2H3,(H,10,12).
What are the key properties of 4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one?
4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 169128874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).