3-cyclohexyloxypyridazine-4-carbonitrile

C11H13N3O — CID 80510047

IUPAC3-cyclohexyloxypyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1OC1CCCCC1
InChIInChI=1S/C11H13N3O/c12-8-9-6-7-13-14-11(9)15-10-4-2-1-3-5-10/h6-7,10H,1-5H2
InChIKeyYROIQFMOBVEYBG-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.06
Rot. Bonds2

About 3-cyclohexyloxypyridazine-4-carbonitrile

3-cyclohexyloxypyridazine-4-carbonitrile (PubChem CID 80510047) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-cyclohexyloxypyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-cyclohexyloxypyridazine-4-carbonitrile
PubChem CID80510047
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-cyclohexyloxypyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1OC1CCCCC1
InChIInChI=1S/C11H13N3O/c12-8-9-6-7-13-14-11(9)15-10-4-2-1-3-5-10/h6-7,10H,1-5H2
InChIKeyYROIQFMOBVEYBG-UHFFFAOYSA-N
XLogP2.06
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxypyridazine-4-carbonitrile?
The IUPAC name of 3-cyclohexyloxypyridazine-4-carbonitrile (CID 80510047) is 3-cyclohexyloxypyridazine-4-carbonitrile.
What is the SMILES notation for 3-cyclohexyloxypyridazine-4-carbonitrile?
The canonical SMILES for 3-cyclohexyloxypyridazine-4-carbonitrile is N#Cc1ccnnc1OC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxypyridazine-4-carbonitrile?
The InChIKey is YROIQFMOBVEYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-8-9-6-7-13-14-11(9)15-10-4-2-1-3-5-10/h6-7,10H,1-5H2.
What are the key properties of 3-cyclohexyloxypyridazine-4-carbonitrile?
3-cyclohexyloxypyridazine-4-carbonitrile has a molecular weight of 203.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxypyridazine-4-carbonitrile is sourced from PubChem (CID 80510047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).