2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile

C12H18N4O2 — CID 114266204

IUPAC2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile
SMILESCCN(C)c1cnn(CCOC(C)C#N)c(=O)c1
InChIInChI=1S/C12H18N4O2/c1-4-15(3)11-7-12(17)16(14-9-11)5-6-18-10(2)8-13/h7,9-10H,4-6H2,1-3H3
InChIKeyKLJNJZJWJXUZIP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.63
Rot. Bonds6

About 2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile

2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile (PubChem CID 114266204) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile.

Molecular Properties

Compound Name2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile
PubChem CID114266204
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile
SMILESCCN(C)c1cnn(CCOC(C)C#N)c(=O)c1
InChIInChI=1S/C12H18N4O2/c1-4-15(3)11-7-12(17)16(14-9-11)5-6-18-10(2)8-13/h7,9-10H,4-6H2,1-3H3
InChIKeyKLJNJZJWJXUZIP-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
5-Amino-2-(2-propan-2-yloxyethyl)pyridazin-3-one
CID 103218289
5-Amino-2-[(4-methylmorpholin-2-yl)methyl]pyridazin-3-one
CID 103218371
5-Amino-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
CID 103218382
5-Amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one
CID 103218442
5-(Methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one
CID 103218573
5-(Ethylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one
CID 103219003

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile?
The IUPAC name of 2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile (CID 114266204) is 2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile.
What is the SMILES notation for 2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile?
The canonical SMILES for 2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile is CCN(C)c1cnn(CCOC(C)C#N)c(=O)c1.
What is the InChIKey of 2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile?
The InChIKey is KLJNJZJWJXUZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-15(3)11-7-12(17)16(14-9-11)5-6-18-10(2)8-13/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile?
2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile has a molecular weight of 250.30 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]ethoxy]propanenitrile is sourced from PubChem (CID 114266204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).