3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile

C16H24N4O — CID 80515484

IUPAC3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(OCC2(N)CCCCC2)c(C#N)c1CC
InChIInChI=1S/C16H24N4O/c1-3-12-13(10-17)15(20-19-14(12)4-2)21-11-16(18)8-6-5-7-9-16/h3-9,11,18H2,1-2H3
InChIKeyVVZFLUBFIYBQPG-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.51
Rot. Bonds5

About 3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile

3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80515484) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80515484
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(OCC2(N)CCCCC2)c(C#N)c1CC
InChIInChI=1S/C16H24N4O/c1-3-12-13(10-17)15(20-19-14(12)4-2)21-11-16(18)8-6-5-7-9-16/h3-9,11,18H2,1-2H3
InChIKeyVVZFLUBFIYBQPG-UHFFFAOYSA-N
XLogP2.51
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.51
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
3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile
CID 80516444
5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516280
5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile
CID 80510168
5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile
CID 80505942
3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile
CID 102740090
5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile
CID 80515482
3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile
CID 80514538
5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile
CID 80510909
5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 114469309
5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile
CID 80506117
5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile
CID 80506109

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile (CID 80515484) is 3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(OCC2(N)CCCCC2)c(C#N)c1CC.
What is the InChIKey of 3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is VVZFLUBFIYBQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-12-13(10-17)15(20-19-14(12)4-2)21-11-16(18)8-6-5-7-9-16/h3-9,11,18H2,1-2H3.
What are the key properties of 3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile?
3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 288.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclohexyl)methoxy]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80515484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).