5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile

C16H23N3O2 — CID 80506117

IUPAC5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile
SMILESCCc1nnc(OC2CCCC(OC)C2)c(C#N)c1CC
InChIInChI=1S/C16H23N3O2/c1-4-13-14(10-17)16(19-18-15(13)5-2)21-12-8-6-7-11(9-12)20-3/h11-12H,4-9H2,1-3H3
InChIKeyUTDWPUHGCLXNPX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.81
Rot. Bonds5

About 5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile

5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile (PubChem CID 80506117) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile
PubChem CID80506117
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile
SMILESCCc1nnc(OC2CCCC(OC)C2)c(C#N)c1CC
InChIInChI=1S/C16H23N3O2/c1-4-13-14(10-17)16(19-18-15(13)5-2)21-12-8-6-7-11(9-12)20-3/h11-12H,4-9H2,1-3H3
InChIKeyUTDWPUHGCLXNPX-UHFFFAOYSA-N
XLogP2.81
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile (CID 80506117) is 5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile is CCc1nnc(OC2CCCC(OC)C2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile?
The InChIKey is UTDWPUHGCLXNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-13-14(10-17)16(19-18-15(13)5-2)21-12-8-6-7-11(9-12)20-3/h11-12H,4-9H2,1-3H3.
What are the key properties of 5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile?
5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile is sourced from PubChem (CID 80506117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).