3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile

C11H16N4O — CID 61098653

IUPAC3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(OCCN(C)C)c(C#N)c1C
InChIInChI=1S/C11H16N4O/c1-8-9(2)13-14-11(10(8)7-12)16-6-5-15(3)4/h5-6H2,1-4H3
InChIKeyUBHDNWUUOKPCCG-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.91
Rot. Bonds4

About 3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile

3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 61098653) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID61098653
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(OCCN(C)C)c(C#N)c1C
InChIInChI=1S/C11H16N4O/c1-8-9(2)13-14-11(10(8)7-12)16-6-5-15(3)4/h5-6H2,1-4H3
InChIKeyUBHDNWUUOKPCCG-UHFFFAOYSA-N
XLogP0.91
TPSA62.04 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 ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile
CID 80514507
5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516247
3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535484
5,6-dimethyl-3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516526
3-[[(2S)-4-(dimethylamino)butan-2-yl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 94227150
2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177452
5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile
CID 66277183
5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
CID 62639917
3-(3,5-dichlorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535943
3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile
CID 102740090
3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 60725799
5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile
CID 81342312

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile (CID 61098653) is 3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(OCCN(C)C)c(C#N)c1C.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is UBHDNWUUOKPCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-9(2)13-14-11(10(8)7-12)16-6-5-15(3)4/h5-6H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile?
3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 61098653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).