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

C12H16N4O2 — CID 114395658

IUPAC2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile
SMILESCC(C#N)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H16N4O2/c1-10(7-13)9-16-12(17)6-11(8-14-16)15-2-4-18-5-3-15/h6,8,10H,2-5,9H2,1H3
InChIKeyCSVZYBGDMWNSGA-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.24
Rot. Bonds3

About 2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile

2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile (PubChem CID 114395658) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile
PubChem CID114395658
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile
SMILESCC(C#N)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H16N4O2/c1-10(7-13)9-16-12(17)6-11(8-14-16)15-2-4-18-5-3-15/h6,8,10H,2-5,9H2,1H3
InChIKeyCSVZYBGDMWNSGA-UHFFFAOYSA-N
XLogP0.24
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.24
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-(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
3,3,3-Trifluoro-2-[[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]propanenitrile
CID 103368207
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-(4-methyl-1,4-diazepan-1-yl)-2-[2-(4-morpholinyl)ethyl]-3(2H)-pyridazinone
CID 28099823
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 2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile?
The IUPAC name of 2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile (CID 114395658) is 2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile.
What is the SMILES notation for 2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile?
The canonical SMILES for 2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile is CC(C#N)Cn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile?
The InChIKey is CSVZYBGDMWNSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-10(7-13)9-16-12(17)6-11(8-14-16)15-2-4-18-5-3-15/h6,8,10H,2-5,9H2,1H3.
What are the key properties of 2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile?
2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile has a molecular weight of 248.29 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile is sourced from PubChem (CID 114395658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).