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

C13H20N4O2 — CID 72887627

IUPAC5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1CC1CCNC1
InChIInChI=1S/C13H20N4O2/c18-13-7-12(16-3-5-19-6-4-16)9-15-17(13)10-11-1-2-14-8-11/h7,9,11,14H,1-6,8,10H2
InChIKeyNTVPUNPMCXVNIV-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.31
Rot. Bonds3

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

5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one (PubChem CID 72887627) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one
PubChem CID72887627
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1CC1CCNC1
InChIInChI=1S/C13H20N4O2/c18-13-7-12(16-3-5-19-6-4-16)9-15-17(13)10-11-1-2-14-8-11/h7,9,11,14H,1-6,8,10H2
InChIKeyNTVPUNPMCXVNIV-UHFFFAOYSA-N
XLogP-0.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-({[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidin-3-yl]methyl}amino)piperidine-1-carboxylate
CID 45232508
N-(2-methoxyethyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide
CID 53202193
N-(2-methoxyethyl)-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-3-carboxamide
CID 53203959
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(4-morpholinyl)acetamide
CID 70715217
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2-methylbutanamide
CID 91911848
2-Ethyl-N-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}butanamide
CID 91911849
N-(1-ethylpropyl)-1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-3-pyrrolidinecarboxamide
CID 91920247
N-isobutyl-1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-3-pyrrolidinecarboxamide
CID 91920254
2-Ethoxy-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924030
2-Ethoxy-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924055
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2-methylpropanamide
CID 91924078
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide
CID 91924084

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one (CID 72887627) is 5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one is O=c1cc(N2CCOCC2)cnn1CC1CCNC1.
What is the InChIKey of 5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one?
The InChIKey is NTVPUNPMCXVNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13-7-12(16-3-5-19-6-4-16)9-15-17(13)10-11-1-2-14-8-11/h7,9,11,14H,1-6,8,10H2.
What are the key properties of 5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one?
5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one has a molecular weight of 264.33 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 72887627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).