1-(6-chloropyridazin-3-yl)azocane

C11H16ClN3 — CID 6623631

IUPAC1-(6-chloropyridazin-3-yl)azocane
SMILESClc1ccc(N2CCCCCCC2)nn1
InChIInChI=1S/C11H16ClN3/c12-10-6-7-11(14-13-10)15-8-4-2-1-3-5-9-15/h6-7H,1-5,8-9H2
InChIKeyZVBFCPWPXOSINU-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.90
Rot. Bonds1

About 1-(6-chloropyridazin-3-yl)azocane

1-(6-chloropyridazin-3-yl)azocane (PubChem CID 6623631) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)azocane.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)azocane
PubChem CID6623631
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name1-(6-chloropyridazin-3-yl)azocane
SMILESClc1ccc(N2CCCCCCC2)nn1
InChIInChI=1S/C11H16ClN3/c12-10-6-7-11(14-13-10)15-8-4-2-1-3-5-9-15/h6-7H,1-5,8-9H2
InChIKeyZVBFCPWPXOSINU-UHFFFAOYSA-N
XLogP2.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)azocane?
The IUPAC name of 1-(6-chloropyridazin-3-yl)azocane (CID 6623631) is 1-(6-chloropyridazin-3-yl)azocane.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)azocane?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)azocane is Clc1ccc(N2CCCCCCC2)nn1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)azocane?
The InChIKey is ZVBFCPWPXOSINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-10-6-7-11(14-13-10)15-8-4-2-1-3-5-9-15/h6-7H,1-5,8-9H2.
What are the key properties of 1-(6-chloropyridazin-3-yl)azocane?
1-(6-chloropyridazin-3-yl)azocane has a molecular weight of 225.72 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)azocane is sourced from PubChem (CID 6623631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).