5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile

C14H19N3O2 — CID 80510909

IUPAC5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(OC2CCOCC2)c(C#N)c1CC
InChIInChI=1S/C14H19N3O2/c1-3-11-12(9-15)14(17-16-13(11)4-2)19-10-5-7-18-8-6-10/h10H,3-8H2,1-2H3
InChIKeySMNGCIGXSCZENS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.03
Rot. Bonds4

About 5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile

5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile (PubChem CID 80510909) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile
PubChem CID80510909
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(OC2CCOCC2)c(C#N)c1CC
InChIInChI=1S/C14H19N3O2/c1-3-11-12(9-15)14(17-16-13(11)4-2)19-10-5-7-18-8-6-10/h10H,3-8H2,1-2H3
InChIKeySMNGCIGXSCZENS-UHFFFAOYSA-N
XLogP2.03
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 25582812
3-(3-Fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 54904411
3-(4-Fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 60725849
5,6-Dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carbonitrile
CID 61097251
3-(3,5-Difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 62415623
3-[(2-Fluorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile
CID 63937553
5,6-Dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carbonitrile
CID 66277183
5,6-Diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile
CID 80501923
3-(3,5-Difluorophenoxy)-5,6-diethylpyridazine-4-carbonitrile
CID 80506048
5,6-Diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile
CID 80506115
[5,6-Diethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine
CID 80507965
5,6-Diethyl-3-(4-fluorophenoxy)pyridazine-4-carbonitrile
CID 80510051

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile (CID 80510909) is 5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile is CCc1nnc(OC2CCOCC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile?
The InChIKey is SMNGCIGXSCZENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-11-12(9-15)14(17-16-13(11)4-2)19-10-5-7-18-8-6-10/h10H,3-8H2,1-2H3.
What are the key properties of 5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile?
5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).