5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one

C13H20N4O3 — CID 114395891

IUPAC5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1CC1CNCCO1
InChIInChI=1S/C13H20N4O3/c18-13-7-11(16-2-5-19-6-3-16)8-15-17(13)10-12-9-14-1-4-20-12/h7-8,12,14H,1-6,9-10H2
InChIKeyPCFSCMYLFONDBO-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.93
Rot. Bonds3

About 5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one

5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one (PubChem CID 114395891) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one
PubChem CID114395891
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1CC1CNCCO1
InChIInChI=1S/C13H20N4O3/c18-13-7-11(16-2-5-19-6-3-16)8-15-17(13)10-12-9-14-1-4-20-12/h7-8,12,14H,1-6,9-10H2
InChIKeyPCFSCMYLFONDBO-UHFFFAOYSA-N
XLogP-0.93
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-morpholin-4-yl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 114395885
5-(dimethylamino)-2-(morpholin-2-ylmethyl)pyridazin-3-one
CID 114395880
2-[2-(azetidin-3-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 107391429
5-morpholin-4-yl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819931
5-morpholin-4-yl-2-(2-piperidin-4-ylethyl)pyridazin-3-one
CID 105061198
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride
CID 154899944
2-(3-aminopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393701
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
1-(morpholin-2-ylmethyl)cinnolin-4-one
CID 64535063
5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one
CID 114398871
2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
CID 107705269
2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397506

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one (CID 114395891) is 5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one is O=c1cc(N2CCOCC2)cnn1CC1CNCCO1.
What is the InChIKey of 5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one?
The InChIKey is PCFSCMYLFONDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c18-13-7-11(16-2-5-19-6-3-16)8-15-17(13)10-12-9-14-1-4-20-12/h7-8,12,14H,1-6,9-10H2.
What are the key properties of 5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one?
5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one has a molecular weight of 280.33 g/mol, XLogP of -0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-(morpholin-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 114395891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).