4,5-dimorpholin-4-yl-1H-pyridazin-6-one

C24H36N8O6 — CID 161394911

IUPAC4,5-dimorpholin-4-yl-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCOCC2)c1N1CCOCC1.O=c1[nH]ncc(N2CCOCC2)c1N1CCOCC1
InChIInChI=1S/2C12H18N4O3/c2*17-12-11(16-3-7-19-8-4-16)10(9-13-14-12)15-1-5-18-6-2-15/h2*9H,1-8H2,(H,14,17)
InChIKeyVTLYGMNEIJKHBY-UHFFFAOYSA-N
MW532.60 g/mol
LogP-1.11
Rot. Bonds4

About 4,5-dimorpholin-4-yl-1H-pyridazin-6-one

4,5-dimorpholin-4-yl-1H-pyridazin-6-one (PubChem CID 161394911) has the molecular formula C24H36N8O6 and a molecular weight of 532.60 g/mol. Its IUPAC name is 4,5-dimorpholin-4-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4,5-dimorpholin-4-yl-1H-pyridazin-6-one
PubChem CID161394911
Molecular FormulaC24H36N8O6
Molecular Weight532.60 g/mol
Exact Mass532.28
IUPAC Name4,5-dimorpholin-4-yl-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCOCC2)c1N1CCOCC1.O=c1[nH]ncc(N2CCOCC2)c1N1CCOCC1
InChIInChI=1S/2C12H18N4O3/c2*17-12-11(16-3-7-19-8-4-16)10(9-13-14-12)15-1-5-18-6-2-15/h2*9H,1-8H2,(H,14,17)
InChIKeyVTLYGMNEIJKHBY-UHFFFAOYSA-N
XLogP-1.11
TPSA141.38 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4,5-dimorpholin-4-yl-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

5-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride
CID 175809424
4-morpholin-4-yl-5-propoxy-1H-pyridazin-6-one
CID 131856588
4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one
CID 149056174
4-(4-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146218714
5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one
CID 23018250
5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile
CID 146553770
4-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 153358084
4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 115112119
4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one
CID 94948965
5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one
CID 114386240
5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one
CID 112683993
5-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 91557117

Frequently Asked Questions

What is the IUPAC name of 4,5-dimorpholin-4-yl-1H-pyridazin-6-one?
The IUPAC name of 4,5-dimorpholin-4-yl-1H-pyridazin-6-one (CID 161394911) is 4,5-dimorpholin-4-yl-1H-pyridazin-6-one.
What is the SMILES notation for 4,5-dimorpholin-4-yl-1H-pyridazin-6-one?
The canonical SMILES for 4,5-dimorpholin-4-yl-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCOCC2)c1N1CCOCC1.O=c1[nH]ncc(N2CCOCC2)c1N1CCOCC1.
What is the InChIKey of 4,5-dimorpholin-4-yl-1H-pyridazin-6-one?
The InChIKey is VTLYGMNEIJKHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18N4O3/c2*17-12-11(16-3-7-19-8-4-16)10(9-13-14-12)15-1-5-18-6-2-15/h2*9H,1-8H2,(H,14,17).
What are the key properties of 4,5-dimorpholin-4-yl-1H-pyridazin-6-one?
4,5-dimorpholin-4-yl-1H-pyridazin-6-one has a molecular weight of 532.60 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimorpholin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 161394911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).