2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile

C10H12N4O2 — CID 46848989

IUPAC2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile
SMILESCn1ncc(N2CCOCC2)c(C#N)c1=O
InChIInChI=1S/C10H12N4O2/c1-13-10(15)8(6-11)9(7-12-13)14-2-4-16-5-3-14/h7H,2-5H2,1H3
InChIKeyFMZIPJHRALIBJK-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.51
Rot. Bonds1

About 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile

2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile (PubChem CID 46848989) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile
PubChem CID46848989
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile
SMILESCn1ncc(N2CCOCC2)c(C#N)c1=O
InChIInChI=1S/C10H12N4O2/c1-13-10(15)8(6-11)9(7-12-13)14-2-4-16-5-3-14/h7H,2-5H2,1H3
InChIKeyFMZIPJHRALIBJK-UHFFFAOYSA-N
XLogP-0.51
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde
CID 14969898
2-[(2-Methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile
CID 14969902
4-(Aminomethyl)-2-methyl-5-(morpholin-4-yl)pyridazin-3(2h)-one
CID 46848992
4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 135937034
4-(Iodoiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one
CID 163477108
3-(4-Morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile
CID 114395654
2-Methyl-3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanenitrile
CID 114395658
3-[4-(2,2-Dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile
CID 114395738
2-Ethyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde
CID 172410414

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile (CID 46848989) is 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile is Cn1ncc(N2CCOCC2)c(C#N)c1=O.
What is the InChIKey of 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile?
The InChIKey is FMZIPJHRALIBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-13-10(15)8(6-11)9(7-12-13)14-2-4-16-5-3-14/h7H,2-5H2,1H3.
What are the key properties of 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile?
2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile has a molecular weight of 220.23 g/mol, XLogP of -0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 46848989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).