3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile

C12H18N4O2 — CID 114395681

IUPAC3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
SMILESCOCCN(C)c1cnn(CC(C)C#N)c(=O)c1
InChIInChI=1S/C12H18N4O2/c1-10(7-13)9-16-12(17)6-11(8-14-16)15(2)4-5-18-3/h6,8,10H,4-5,9H2,1-3H3
InChIKeyQFIUISPUQUJPLM-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.49
Rot. Bonds6

About 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile

3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile (PubChem CID 114395681) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
PubChem CID114395681
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
SMILESCOCCN(C)c1cnn(CC(C)C#N)c(=O)c1
InChIInChI=1S/C12H18N4O2/c1-10(7-13)9-16-12(17)6-11(8-14-16)15(2)4-5-18-3/h6,8,10H,4-5,9H2,1-3H3
InChIKeyQFIUISPUQUJPLM-UHFFFAOYSA-N
XLogP0.49
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395697
2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396159
3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanethioamide
CID 114395810
2-(2-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394768
2-but-3-ynyl-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396760
2-[2-(2-chloroethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394318
5-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanenitrile
CID 114395684
2-[3-(ethylamino)butyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394754
6-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid
CID 114393962
2-[2-(2-aminoethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103482433
2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548689
2-[2-[2-(dimethylamino)ethylamino]ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114397564

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile (CID 114395681) is 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile is COCCN(C)c1cnn(CC(C)C#N)c(=O)c1.
What is the InChIKey of 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile?
The InChIKey is QFIUISPUQUJPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-10(7-13)9-16-12(17)6-11(8-14-16)15(2)4-5-18-3/h6,8,10H,4-5,9H2,1-3H3.
What are the key properties of 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile?
3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile has a molecular weight of 250.30 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 114395681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).