5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile

C14H19N3O — CID 61098040

IUPAC5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile
SMILESCc1nnc(OC2CCCCC2C)c(C#N)c1C
InChIInChI=1S/C14H19N3O/c1-9-6-4-5-7-13(9)18-14-12(8-15)10(2)11(3)16-17-14/h9,13H,4-7H2,1-3H3
InChIKeyCVVGEFXCBJMVGF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.92
Rot. Bonds2

About 5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile

5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile (PubChem CID 61098040) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile
PubChem CID61098040
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile
SMILESCc1nnc(OC2CCCCC2C)c(C#N)c1C
InChIInChI=1S/C14H19N3O/c1-9-6-4-5-7-13(9)18-14-12(8-15)10(2)11(3)16-17-14/h9,13H,4-7H2,1-3H3
InChIKeyCVVGEFXCBJMVGF-UHFFFAOYSA-N
XLogP2.92
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile (CID 61098040) is 5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile is Cc1nnc(OC2CCCCC2C)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile?
The InChIKey is CVVGEFXCBJMVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-6-4-5-7-13(9)18-14-12(8-15)10(2)11(3)16-17-14/h9,13H,4-7H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile?
5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile is sourced from PubChem (CID 61098040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).