3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane

C10H13ClN4 — CID 6412645

IUPAC3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESClc1ccc(N2CC3CCC(C2)N3)nn1
InChIInChI=1S/C10H13ClN4/c11-9-3-4-10(14-13-9)15-5-7-1-2-8(6-15)12-7/h3-4,7-8,12H,1-2,5-6H2
InChIKeyUSXYDBGSWSSTGE-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.07
Rot. Bonds1

About 3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane

3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 6412645) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID6412645
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESClc1ccc(N2CC3CCC(C2)N3)nn1
InChIInChI=1S/C10H13ClN4/c11-9-3-4-10(14-13-9)15-5-7-1-2-8(6-15)12-7/h3-4,7-8,12H,1-2,5-6H2
InChIKeyUSXYDBGSWSSTGE-UHFFFAOYSA-N
XLogP1.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane (CID 6412645) is 3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane is Clc1ccc(N2CC3CCC(C2)N3)nn1.
What is the InChIKey of 3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is USXYDBGSWSSTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c11-9-3-4-10(14-13-9)15-5-7-1-2-8(6-15)12-7/h3-4,7-8,12H,1-2,5-6H2.
What are the key properties of 3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane?
3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 224.69 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 6412645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).