3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane

C9H11ClN4 — CID 44590008

IUPAC3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
SMILESClc1ccc(N2CC3CC(C2)N3)nn1
InChIInChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-4-6-3-7(5-14)11-6/h1-2,6-7,11H,3-5H2
InChIKeyGGFYYCGAEIOYTF-UHFFFAOYSA-N
MW210.67 g/mol
LogP0.68
Rot. Bonds1

About 3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane

3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 44590008) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
PubChem CID44590008
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
SMILESClc1ccc(N2CC3CC(C2)N3)nn1
InChIInChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-4-6-3-7(5-14)11-6/h1-2,6-7,11H,3-5H2
InChIKeyGGFYYCGAEIOYTF-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 3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane (CID 44590008) is 3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane is Clc1ccc(N2CC3CC(C2)N3)nn1.
What is the InChIKey of 3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is GGFYYCGAEIOYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-4-6-3-7(5-14)11-6/h1-2,6-7,11H,3-5H2.
What are the key properties of 3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane?
3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]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 3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 44590008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).