5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile

C16H24N4O — CID 80515482

IUPAC5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(OCCC2CCCCN2)c(C#N)c1CC
InChIInChI=1S/C16H24N4O/c1-3-13-14(11-17)16(20-19-15(13)4-2)21-10-8-12-7-5-6-9-18-12/h12,18H,3-10H2,1-2H3
InChIKeyHQAHYEPDXDWBGC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.38
Rot. Bonds6

About 5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile

5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile (PubChem CID 80515482) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile
PubChem CID80515482
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(OCCC2CCCCN2)c(C#N)c1CC
InChIInChI=1S/C16H24N4O/c1-3-13-14(11-17)16(20-19-15(13)4-2)21-10-8-12-7-5-6-9-18-12/h12,18H,3-10H2,1-2H3
InChIKeyHQAHYEPDXDWBGC-UHFFFAOYSA-N
XLogP2.38
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516280
5,6-dimethyl-3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516526
5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile
CID 80510168
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 114469309
5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile
CID 80510752
5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516247
5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile
CID 80510909
5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile
CID 80506117
4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile
CID 62925745
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80504469

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile (CID 80515482) is 5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile is CCc1nnc(OCCC2CCCCN2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile?
The InChIKey is HQAHYEPDXDWBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-13-14(11-17)16(20-19-15(13)4-2)21-10-8-12-7-5-6-9-18-12/h12,18H,3-10H2,1-2H3.
What are the key properties of 5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile?
5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile has a molecular weight of 288.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80515482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).