3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one

C10H13N3O4 — CID 81208326

IUPAC3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCOC(CO)C1
InChIInChI=1S/C10H13N3O4/c14-6-7-5-13(3-4-17-7)10(16)8-1-2-9(15)12-11-8/h1-2,7,14H,3-6H2,(H,12,15)
InChIKeyLWGSWAGDSNJITR-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.40
Rot. Bonds2

About 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one

3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one (PubChem CID 81208326) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
PubChem CID81208326
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCOC(CO)C1
InChIInChI=1S/C10H13N3O4/c14-6-7-5-13(3-4-17-7)10(16)8-1-2-9(15)12-11-8/h1-2,7,14H,3-6H2,(H,12,15)
InChIKeyLWGSWAGDSNJITR-UHFFFAOYSA-N
XLogP-1.40
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-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-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81208376
[2-(hydroxymethyl)morpholin-4-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 113436230
3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 38489921
3-[(5aS,8aS)-4-methyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine-7-carbonyl]-1H-pyridazin-6-one
CID 131691221
3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 95845426
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 103709631
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208217
3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 39570435
3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 102979094
3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805953
2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
CID 103429192

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one (CID 81208326) is 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCOC(CO)C1.
What is the InChIKey of 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one?
The InChIKey is LWGSWAGDSNJITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-6-7-5-13(3-4-17-7)10(16)8-1-2-9(15)12-11-8/h1-2,7,14H,3-6H2,(H,12,15).
What are the key properties of 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one?
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one has a molecular weight of 239.23 g/mol, XLogP of -1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 81208326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).