2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one

C13H20N4O2 — CID 72865171

IUPAC2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCNCC2)cnn1CC1CCCO1
InChIInChI=1S/C13H20N4O2/c18-13-8-11(16-5-3-14-4-6-16)9-15-17(13)10-12-2-1-7-19-12/h8-9,12,14H,1-7,10H2
InChIKeySSJQHERYKGWOAQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.17
Rot. Bonds3

About 2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one

2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one (PubChem CID 72865171) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one
PubChem CID72865171
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCNCC2)cnn1CC1CCCO1
InChIInChI=1S/C13H20N4O2/c18-13-8-11(16-5-3-14-4-6-16)9-15-17(13)10-12-2-1-7-19-12/h8-9,12,14H,1-7,10H2
InChIKeySSJQHERYKGWOAQ-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53202116
N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202196
2-[4-[2-(2-aminoethyl)-4-morpholinyl]-6-oxo-1(6H)-pyridazinyl]-N-ethyl-N-methylacetamide
CID 56892429
5-morpholin-4-yl-2-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-one
CID 97208340
5-(Dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 45195111
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
CID 56881771
2-(4-Morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one
CID 175314913
2-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]-N-(tetrahydro-2H-pyran-3-yl)acetamide
CID 45229508
5-(4-methyl-1-piperazinyl)-2-(tetrahydro-2-furanylmethyl)-3(2H)-pyridazinone
CID 45932616
N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56910473
2-[2-(Oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 62848753
5-{2-[2-(cyclopentylamino)ethyl]-4-morpholinyl}-2-methyl-3(2H)-pyridazinone
CID 70780526

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one (CID 72865171) is 2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one is O=c1cc(N2CCNCC2)cnn1CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one?
The InChIKey is SSJQHERYKGWOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13-8-11(16-5-3-14-4-6-16)9-15-17(13)10-12-2-1-7-19-12/h8-9,12,14H,1-7,10H2.
What are the key properties of 2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one?
2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one has a molecular weight of 264.33 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-5-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 72865171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).