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

C11H16N4O — CID 114395697

IUPAC3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
SMILESCCN(C)c1cnn(CC(C)C#N)c(=O)c1
InChIInChI=1S/C11H16N4O/c1-4-14(3)10-5-11(16)15(13-7-10)8-9(2)6-12/h5,7,9H,4,8H2,1-3H3
InChIKeySGHZWXYNGRSENY-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.86
Rot. Bonds4

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

3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile (PubChem CID 114395697) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
PubChem CID114395697
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
SMILESCCN(C)c1cnn(CC(C)C#N)c(=O)c1
InChIInChI=1S/C11H16N4O/c1-4-14(3)10-5-11(16)15(13-7-10)8-9(2)6-12/h5,7,9H,4,8H2,1-3H3
InChIKeySGHZWXYNGRSENY-UHFFFAOYSA-N
XLogP0.86
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395681
5-[ethyl(methyl)amino]-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114399054
2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548689
2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanamide
CID 114394012
2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394815
2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393747
2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393745
5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 114394819
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326

Frequently Asked Questions

What is the IUPAC name of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile (CID 114395697) is 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile is CCN(C)c1cnn(CC(C)C#N)c(=O)c1.
What is the InChIKey of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile?
The InChIKey is SGHZWXYNGRSENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-4-14(3)10-5-11(16)15(13-7-10)8-9(2)6-12/h5,7,9H,4,8H2,1-3H3.
What are the key properties of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile?
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile has a molecular weight of 220.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 114395697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).