4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile

C12H16N4O2 — CID 114395656

IUPAC4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile
SMILESN#CCCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H16N4O2/c13-3-1-2-4-16-12(17)9-11(10-14-16)15-5-7-18-8-6-15/h9-10H,1-2,4-8H2
InChIKeyLIUONDKUMHTIPH-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.38
Rot. Bonds4

About 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile

4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile (PubChem CID 114395656) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile.

Molecular Properties

Compound Name4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile
PubChem CID114395656
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile
SMILESN#CCCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H16N4O2/c13-3-1-2-4-16-12(17)9-11(10-14-16)15-5-7-18-8-6-15/h9-10H,1-2,4-8H2
InChIKeyLIUONDKUMHTIPH-UHFFFAOYSA-N
XLogP0.38
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.38
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-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
2-(2-ethylbutyl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 56912171
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
3,3,3-Trifluoro-2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]propanenitrile
CID 103368205
2-(2-butyn-1-yl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 30877097
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
CID 56881771
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
5-morpholin-4-yl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridazin-3(2H)-one
CID 72893726
5-morpholin-4-yl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3(2H)-one
CID 72940884

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile?
The IUPAC name of 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile (CID 114395656) is 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile.
What is the SMILES notation for 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile?
The canonical SMILES for 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile is N#CCCCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile?
The InChIKey is LIUONDKUMHTIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-3-1-2-4-16-12(17)9-11(10-14-16)15-5-7-18-8-6-15/h9-10H,1-2,4-8H2.
What are the key properties of 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile?
4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile has a molecular weight of 248.29 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile is sourced from PubChem (CID 114395656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).