8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride

C11H18Cl2N4 — CID 91623873

IUPAC8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride
SMILESCl.Cl.NC1CC2CCC(C1)N2c1cccnn1
InChIInChI=1S/C11H16N4.2ClH/c12-8-6-9-3-4-10(7-8)15(9)11-2-1-5-13-14-11;;/h1-2,5,8-10H,3-4,6-7,12H2;2*1H
InChIKeyNSQQGRGVBYGJKL-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.78
Rot. Bonds1

About 8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride

8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride (PubChem CID 91623873) has the molecular formula C11H18Cl2N4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride.

Molecular Properties

Compound Name8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride
PubChem CID91623873
Molecular FormulaC11H18Cl2N4
Molecular Weight277.20 g/mol
Exact Mass276.09
IUPAC Name8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride
SMILESCl.Cl.NC1CC2CCC(C1)N2c1cccnn1
InChIInChI=1S/C11H16N4.2ClH/c12-8-6-9-3-4-10(7-8)15(9)11-2-1-5-13-14-11;;/h1-2,5,8-10H,3-4,6-7,12H2;2*1H
InChIKeyNSQQGRGVBYGJKL-UHFFFAOYSA-N
XLogP1.78
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride?
The IUPAC name of 8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride (CID 91623873) is 8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride.
What is the SMILES notation for 8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride?
The canonical SMILES for 8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride is Cl.Cl.NC1CC2CCC(C1)N2c1cccnn1.
What is the InChIKey of 8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride?
The InChIKey is NSQQGRGVBYGJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4.2ClH/c12-8-6-9-3-4-10(7-8)15(9)11-2-1-5-13-14-11;;/h1-2,5,8-10H,3-4,6-7,12H2;2*1H.
What are the key properties of 8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride?
8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride has a molecular weight of 277.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride is sourced from PubChem (CID 91623873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).