2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one

C8H12N2O3 — CID 106548849

IUPAC2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(O)CO)c(=O)c1
InChIInChI=1S/C8H12N2O3/c1-6-2-8(13)10(9-3-6)4-7(12)5-11/h2-3,7,11-12H,4-5H2,1H3
InChIKeyNSZAETDPEZJAAX-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.10
Rot. Bonds3

About 2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one

2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one (PubChem CID 106548849) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one
PubChem CID106548849
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Name2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(O)CO)c(=O)c1
InChIInChI=1S/C8H12N2O3/c1-6-2-8(13)10(9-3-6)4-7(12)5-11/h2-3,7,11-12H,4-5H2,1H3
InChIKeyNSZAETDPEZJAAX-UHFFFAOYSA-N
XLogP-1.10
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Fluoro-2-hydroxypropyl)-5-methyl-2,3-dihydropyridazin-3-one
CID 165595267
2-(2-Hydroxybutyl)pyridazin-3-one
CID 62849611
2-(2-Hydroxy-3-methoxypropyl)pyridazin-3-one
CID 91026591
2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
CID 123747839
2-[(2S)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
CID 141267631
2-(2,3-Dihydroxypropyl)pyridazin-3-one
CID 82850469
2-(3-Bromo-2-hydroxypropyl)-5-methylpyridazin-3-one
CID 106548496
2-[2-Hydroxy-3-(methylamino)propyl]-5-methylpyridazin-3-one
CID 106548637
2-(3-Amino-2-hydroxypropyl)-5-methylpyridazin-3-one
CID 106548642
5-Methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one
CID 106548644
2-(2-Hydroxyethyl)-5-methylpyridazin-3-one
CID 106548841
2-(2-Hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one
CID 106548843

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one (CID 106548849) is 2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one is Cc1cnn(CC(O)CO)c(=O)c1.
What is the InChIKey of 2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one?
The InChIKey is NSZAETDPEZJAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6-2-8(13)10(9-3-6)4-7(12)5-11/h2-3,7,11-12H,4-5H2,1H3.
What are the key properties of 2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one?
2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one has a molecular weight of 184.20 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).