5-chloro-3-cyclohexylpyridazine

C10H13ClN2 — CID 117107213

IUPAC5-chloro-3-cyclohexylpyridazine
SMILESClc1cnnc(C2CCCCC2)c1
InChIInChI=1S/C10H13ClN2/c11-9-6-10(13-12-7-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyGSQJYYKPAWPIJV-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.18
Rot. Bonds1

About 5-chloro-3-cyclohexylpyridazine

5-chloro-3-cyclohexylpyridazine (PubChem CID 117107213) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 5-chloro-3-cyclohexylpyridazine.

Molecular Properties

Compound Name5-chloro-3-cyclohexylpyridazine
PubChem CID117107213
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name5-chloro-3-cyclohexylpyridazine
SMILESClc1cnnc(C2CCCCC2)c1
InChIInChI=1S/C10H13ClN2/c11-9-6-10(13-12-7-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyGSQJYYKPAWPIJV-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclohexylpyridazine?
The IUPAC name of 5-chloro-3-cyclohexylpyridazine (CID 117107213) is 5-chloro-3-cyclohexylpyridazine.
What is the SMILES notation for 5-chloro-3-cyclohexylpyridazine?
The canonical SMILES for 5-chloro-3-cyclohexylpyridazine is Clc1cnnc(C2CCCCC2)c1.
What is the InChIKey of 5-chloro-3-cyclohexylpyridazine?
The InChIKey is GSQJYYKPAWPIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-9-6-10(13-12-7-9)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 5-chloro-3-cyclohexylpyridazine?
5-chloro-3-cyclohexylpyridazine has a molecular weight of 196.68 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclohexylpyridazine is sourced from PubChem (CID 117107213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).