5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile

C13H18N4O2 — CID 114395659

IUPAC5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile
SMILESN#CCCCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C13H18N4O2/c14-4-2-1-3-5-17-13(18)10-12(11-15-17)16-6-8-19-9-7-16/h10-11H,1-3,5-9H2
InChIKeyWESHPNXHPGLEDV-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.77
Rot. Bonds5

About 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile

5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile (PubChem CID 114395659) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile
PubChem CID114395659
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile
SMILESN#CCCCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C13H18N4O2/c14-4-2-1-3-5-17-13(18)10-12(11-15-17)16-6-8-19-9-7-16/h10-11H,1-3,5-9H2
InChIKeyWESHPNXHPGLEDV-UHFFFAOYSA-N
XLogP0.77
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylbutyl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 56912171
3,3,3-Trifluoro-2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]propanenitrile
CID 103368205
5-Morpholin-4-yl-2-prop-2-enylpyridazin-3-one
CID 12550769
5-(dimethylamino)-2-[2-(4-morpholinyl)ethyl]-3(2H)-pyridazinone
CID 28311086
2-[3-(4-morpholinyl)propyl]-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 28786546
2-(2-ethoxyethyl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 56900434
2-(1,4-dioxan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3(2H)-one
CID 72934854
5-morpholin-4-yl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3(2H)-one
CID 72940884
2-[[(2R)-1,4-dioxan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97209570
2-[[(2S)-1,4-dioxan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97209571
2-[2-(2-Aminoethoxy)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 103482431
2-[2-(2-Aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 103482438

Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile?
The IUPAC name of 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile (CID 114395659) is 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile.
What is the SMILES notation for 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile?
The canonical SMILES for 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile is N#CCCCCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile?
The InChIKey is WESHPNXHPGLEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-4-2-1-3-5-17-13(18)10-12(11-15-17)16-6-8-19-9-7-16/h10-11H,1-3,5-9H2.
What are the key properties of 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile?
5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile has a molecular weight of 262.31 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanenitrile is sourced from PubChem (CID 114395659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).