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

C10H14N4O2 — CID 114395678

IUPAC2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetonitrile
SMILESCOCCN(C)c1cnn(CC#N)c(=O)c1
InChIInChI=1S/C10H14N4O2/c1-13(5-6-16-2)9-7-10(15)14(4-3-11)12-8-9/h7-8H,4-6H2,1-2H3
InChIKeyAQSRPSZTFZYIIF-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.15
Rot. Bonds5

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

2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetonitrile (PubChem CID 114395678) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetonitrile
PubChem CID114395678
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetonitrile
SMILESCOCCN(C)c1cnn(CC#N)c(=O)c1
InChIInChI=1S/C10H14N4O2/c1-13(5-6-16-2)9-7-10(15)14(4-3-11)12-8-9/h7-8H,4-6H2,1-2H3
InChIKeyAQSRPSZTFZYIIF-UHFFFAOYSA-N
XLogP-0.15
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-(2-propoxyethyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72868425
3,3,3-Trifluoro-2-[[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]propanenitrile
CID 103368207
Trifluoro-[3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]prop-1-en-2-yl]boranuide
CID 106746476
Trifluoro-[[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398760
2-(2-butyn-1-yl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 30877097
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
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(2-methoxyethyl)-N-methylacetamide
CID 72875705
2-[2-(Aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103073070

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetonitrile (CID 114395678) is 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetonitrile is COCCN(C)c1cnn(CC#N)c(=O)c1.
What is the InChIKey of 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetonitrile?
The InChIKey is AQSRPSZTFZYIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-13(5-6-16-2)9-7-10(15)14(4-3-11)12-8-9/h7-8H,4-6H2,1-2H3.
What are the key properties of 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetonitrile?
2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetonitrile has a molecular weight of 222.25 g/mol, XLogP of -0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetonitrile is sourced from PubChem (CID 114395678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).