3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile

C11H14N4O2 — CID 114395654

IUPAC3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile
SMILESN#CCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C11H14N4O2/c12-2-1-3-15-11(16)8-10(9-13-15)14-4-6-17-7-5-14/h8-9H,1,3-7H2
InChIKeyKYBGPZJRNJMKGO-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.01
Rot. Bonds3

About 3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile

3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile (PubChem CID 114395654) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile
PubChem CID114395654
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile
SMILESN#CCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C11H14N4O2/c12-2-1-3-15-11(16)8-10(9-13-15)14-4-6-17-7-5-14/h8-9H,1,3-7H2
InChIKeyKYBGPZJRNJMKGO-UHFFFAOYSA-N
XLogP-0.01
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
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
3,3,3-Trifluoro-2-[[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]propanenitrile
CID 103368207
Trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746472
Trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide
CID 114398753
2-(2-butyn-1-yl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 30877097
2-Methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile
CID 46848989
5-Morpholin-4-yl-2-prop-2-enylpyridazin-3-one
CID 12550769
5-(dimethylamino)-2-[2-(4-morpholinyl)ethyl]-3(2H)-pyridazinone
CID 28311086
5-(dimethylamino)-2-(2-propoxyethyl)-3(2H)-pyridazinone
CID 28732206

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile?
The IUPAC name of 3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile (CID 114395654) is 3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile.
What is the SMILES notation for 3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile?
The canonical SMILES for 3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile is N#CCCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile?
The InChIKey is KYBGPZJRNJMKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-2-1-3-15-11(16)8-10(9-13-15)14-4-6-17-7-5-14/h8-9H,1,3-7H2.
What are the key properties of 3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile?
3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile has a molecular weight of 234.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile is sourced from PubChem (CID 114395654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).