3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine

C12H17ClN2O — CID 61255586

IUPAC3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine
SMILESCC1CCC(Oc2ccc(CCl)nn2)CC1
InChIInChI=1S/C12H17ClN2O/c1-9-2-5-11(6-3-9)16-12-7-4-10(8-13)14-15-12/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyJQASRSUMSCJQJR-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.17
Rot. Bonds3

About 3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine

3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine (PubChem CID 61255586) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine
PubChem CID61255586
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine
SMILESCC1CCC(Oc2ccc(CCl)nn2)CC1
InChIInChI=1S/C12H17ClN2O/c1-9-2-5-11(6-3-9)16-12-7-4-10(8-13)14-15-12/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyJQASRSUMSCJQJR-UHFFFAOYSA-N
XLogP3.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine?
The IUPAC name of 3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine (CID 61255586) is 3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine is CC1CCC(Oc2ccc(CCl)nn2)CC1.
What is the InChIKey of 3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine?
The InChIKey is JQASRSUMSCJQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-2-5-11(6-3-9)16-12-7-4-10(8-13)14-15-12/h4,7,9,11H,2-3,5-6,8H2,1H3.
What are the key properties of 3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine?
3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine has a molecular weight of 240.73 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine is sourced from PubChem (CID 61255586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).