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

C10H14ClN3 — CID 6401290

IUPAC1-(6-chloropyridazin-3-yl)azepane
SMILESClc1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C10H14ClN3/c11-9-5-6-10(13-12-9)14-7-3-1-2-4-8-14/h5-6H,1-4,7-8H2
InChIKeySKNNHMTWELIESA-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.51
Rot. Bonds1

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

1-(6-chloropyridazin-3-yl)azepane (PubChem CID 6401290) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)azepane.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)azepane
PubChem CID6401290
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name1-(6-chloropyridazin-3-yl)azepane
SMILESClc1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C10H14ClN3/c11-9-5-6-10(13-12-9)14-7-3-1-2-4-8-14/h5-6H,1-4,7-8H2
InChIKeySKNNHMTWELIESA-UHFFFAOYSA-N
XLogP2.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.51
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)azepane?
The IUPAC name of 1-(6-chloropyridazin-3-yl)azepane (CID 6401290) is 1-(6-chloropyridazin-3-yl)azepane.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)azepane?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)azepane is Clc1ccc(N2CCCCCC2)nn1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)azepane?
The InChIKey is SKNNHMTWELIESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c11-9-5-6-10(13-12-9)14-7-3-1-2-4-8-14/h5-6H,1-4,7-8H2.
What are the key properties of 1-(6-chloropyridazin-3-yl)azepane?
1-(6-chloropyridazin-3-yl)azepane has a molecular weight of 211.70 g/mol, XLogP of 2.51, 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)azepane is sourced from PubChem (CID 6401290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).