2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane

C9H11ClN4 — CID 18007882

IUPAC2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESClc1ccc(N2CC3CC2CN3)nn1
InChIInChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-5-6-3-7(14)4-11-6/h1-2,6-7,11H,3-5H2
InChIKeyRDBYUTPLHXVJKE-UHFFFAOYSA-N
MW210.67 g/mol
LogP0.68
Rot. Bonds1

About 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane

2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 18007882) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID18007882
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESClc1ccc(N2CC3CC2CN3)nn1
InChIInChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-5-6-3-7(14)4-11-6/h1-2,6-7,11H,3-5H2
InChIKeyRDBYUTPLHXVJKE-UHFFFAOYSA-N
XLogP0.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane (CID 18007882) is 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane is Clc1ccc(N2CC3CC2CN3)nn1.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is RDBYUTPLHXVJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-5-6-3-7(14)4-11-6/h1-2,6-7,11H,3-5H2.
What are the key properties of 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane?
2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 210.67 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 18007882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).