2-(3-hydroxypropyl)-5-methylpyridazin-3-one

C8H12N2O2 — CID 106548845

IUPAC2-(3-hydroxypropyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCCO)c(=O)c1
InChIInChI=1S/C8H12N2O2/c1-7-5-8(12)10(9-6-7)3-2-4-11/h5-6,11H,2-4H2,1H3
InChIKeyCLIRWAGEUABQRG-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.07
Rot. Bonds3

About 2-(3-hydroxypropyl)-5-methylpyridazin-3-one

2-(3-hydroxypropyl)-5-methylpyridazin-3-one (PubChem CID 106548845) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-5-methylpyridazin-3-one
PubChem CID106548845
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(3-hydroxypropyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCCO)c(=O)c1
InChIInChI=1S/C8H12N2O2/c1-7-5-8(12)10(9-6-7)3-2-4-11/h5-6,11H,2-4H2,1H3
InChIKeyCLIRWAGEUABQRG-UHFFFAOYSA-N
XLogP-0.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-Hydroxypropyl)pyridazin-3-one
CID 62849435
5-(Hydroxymethyl)-2-methyl-2,3-dihydropyridazin-3-one
CID 171035214
2-(1-Hydroxypropyl)pyridazin-3-one
CID 174258046
2-(3-Hydroxybutyl)pyridazin-3-one
CID 62850510
2-(Hydroxymethyl)-5-(3-hydroxyprop-1-yn-1-yl)pyridazin-3(2H)-one
CID 71418069
5-(3-Hydroxyprop-1-yn-1-yl)-2-methylpyridazin-3(2H)-one
CID 71418076
3-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 84103792
2,2-Dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 106548399
2-Methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 106548455
3-(4-Methyl-6-oxopyridazin-1-yl)propanal
CID 106548801
2-(2-Hydroxyethyl)-5-methylpyridazin-3-one
CID 106548841

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-5-methylpyridazin-3-one (CID 106548845) is 2-(3-hydroxypropyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-5-methylpyridazin-3-one is Cc1cnn(CCCO)c(=O)c1.
What is the InChIKey of 2-(3-hydroxypropyl)-5-methylpyridazin-3-one?
The InChIKey is CLIRWAGEUABQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7-5-8(12)10(9-6-7)3-2-4-11/h5-6,11H,2-4H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-5-methylpyridazin-3-one?
2-(3-hydroxypropyl)-5-methylpyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).