3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile

C15H24N4O — CID 80516444

IUPAC3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(OCC(N)(CC)CC)c(C#N)c1CC
InChIInChI=1S/C15H24N4O/c1-5-11-12(9-16)14(19-18-13(11)6-2)20-10-15(17,7-3)8-4/h5-8,10,17H2,1-4H3
InChIKeyFOTFKVOONJCGNL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.37
Rot. Bonds7

About 3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile

3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80516444) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80516444
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(OCC(N)(CC)CC)c(C#N)c1CC
InChIInChI=1S/C15H24N4O/c1-5-11-12(9-16)14(19-18-13(11)6-2)20-10-15(17,7-3)8-4/h5-8,10,17H2,1-4H3
InChIKeyFOTFKVOONJCGNL-UHFFFAOYSA-N
XLogP2.37
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile
CID 80510752
5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile
CID 80510168
3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile
CID 80515484
5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile
CID 80510829
3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile
CID 80514538
3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine
CID 105363294
5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516280
3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile
CID 102740090
3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile
CID 80506112
5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile
CID 80506109
5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile
CID 80510909
5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 114469309

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile (CID 80516444) is 3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(OCC(N)(CC)CC)c(C#N)c1CC.
What is the InChIKey of 3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is FOTFKVOONJCGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-11-12(9-16)14(19-18-13(11)6-2)20-10-15(17,7-3)8-4/h5-8,10,17H2,1-4H3.
What are the key properties of 3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile?
3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 276.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80516444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).