2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one

C8H12N2O2 — CID 106549003

IUPAC2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one
SMILESCc1cnn(C[C@H](C)O)c(=O)c1
InChIInChI=1S/C8H12N2O2/c1-6-3-8(12)10(9-4-6)5-7(2)11/h3-4,7,11H,5H2,1-2H3/t7-/m0/s1
InChIKeyVYKKSTCVOLVTNH-ZETCQYMHSA-N
MW168.20 g/mol
LogP-0.07
Rot. Bonds2

About 2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one

2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one (PubChem CID 106549003) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one
PubChem CID106549003
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one
SMILESCc1cnn(C[C@H](C)O)c(=O)c1
InChIInChI=1S/C8H12N2O2/c1-6-3-8(12)10(9-4-6)5-7(2)11/h3-4,7,11H,5H2,1-2H3/t7-/m0/s1
InChIKeyVYKKSTCVOLVTNH-ZETCQYMHSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Fluoro-2-hydroxypropyl)-5-methyl-2,3-dihydropyridazin-3-one
CID 165595267
2-(3-Fluoro-2-hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 165748136
2-(2-Hydroxybutyl)pyridazin-3-one
CID 62849611
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-(2-Hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 62849436
2-(3-Hydroxybutan-2-yl)pyridazin-3-one
CID 78917642
2-(2-Hydroxy-3-methylbutyl)pyridazin-3-one
CID 80449215
2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 103935360
2-[(2R)-2-hydroxypropyl]pyridazin-3-one
CID 103935361
5-(dimethylamino)-2-[(2R)-2-hydroxypropyl]pyridazin-3-one
CID 104920966
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967
5-[ethyl(methyl)amino]-2-[(2R)-2-hydroxypropyl]pyridazin-3-one
CID 104920971

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one (CID 106549003) is 2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one is Cc1cnn(C[C@H](C)O)c(=O)c1.
What is the InChIKey of 2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one?
The InChIKey is VYKKSTCVOLVTNH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-3-8(12)10(9-4-6)5-7(2)11/h3-4,7,11H,5H2,1-2H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one?
2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106549003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).