(1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane

C10H13ClN4 — CID 6603824

IUPAC(1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESClc1ccc(N2C[C@H]3CC[C@@H](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/t7-,8+
InChIKeyUSXYDBGSWSSTGE-OCAPTIKFSA-N
MW224.69 g/mol
LogP1.07
Rot. Bonds1

About (1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane

(1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 6603824) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is (1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID6603824
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name(1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESClc1ccc(N2C[C@H]3CC[C@@H](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/t7-,8+
InChIKeyUSXYDBGSWSSTGE-OCAPTIKFSA-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

Analyze (1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane (CID 6603824) is (1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane is Clc1ccc(N2C[C@H]3CC[C@@H](C2)N3)nn1.
What is the InChIKey of (1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is USXYDBGSWSSTGE-OCAPTIKFSA-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/t7-,8+.
What are the key properties of (1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane?
(1S,5R)-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 (1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 6603824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).