5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile

C14H20N4O2 — CID 114469309

IUPAC5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(OCC2CNCCO2)c(C#N)c1CC
InChIInChI=1S/C14H20N4O2/c1-3-11-12(7-15)14(18-17-13(11)4-2)20-9-10-8-16-5-6-19-10/h10,16H,3-6,8-9H2,1-2H3
InChIKeyFZHLOJUTWUEGQO-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.84
Rot. Bonds5

About 5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile

5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile (PubChem CID 114469309) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile
PubChem CID114469309
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(OCC2CNCCO2)c(C#N)c1CC
InChIInChI=1S/C14H20N4O2/c1-3-11-12(7-15)14(18-17-13(11)4-2)20-9-10-8-16-5-6-19-10/h10,16H,3-6,8-9H2,1-2H3
InChIKeyFZHLOJUTWUEGQO-UHFFFAOYSA-N
XLogP0.84
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile (CID 114469309) is 5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile is CCc1nnc(OCC2CNCCO2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile?
The InChIKey is FZHLOJUTWUEGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-11-12(7-15)14(18-17-13(11)4-2)20-9-10-8-16-5-6-19-10/h10,16H,3-6,8-9H2,1-2H3.
What are the key properties of 5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile?
5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(morpholin-2-ylmethoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 114469309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).