3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

C11H16ClN3O — CID 67462440

IUPAC3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESCl.OC1(c2cccnn2)CC2CCC(C1)N2
InChIInChI=1S/C11H15N3O.ClH/c15-11(10-2-1-5-12-14-10)6-8-3-4-9(7-11)13-8;/h1-2,5,8-9,13,15H,3-4,6-7H2;1H
InChIKeyCAIBABLKVGENSN-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.00
Rot. Bonds1

About 3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (PubChem CID 67462440) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
PubChem CID67462440
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESCl.OC1(c2cccnn2)CC2CCC(C1)N2
InChIInChI=1S/C11H15N3O.ClH/c15-11(10-2-1-5-12-14-10)6-8-3-4-9(7-11)13-8;/h1-2,5,8-9,13,15H,3-4,6-7H2;1H
InChIKeyCAIBABLKVGENSN-UHFFFAOYSA-N
XLogP1.00
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The IUPAC name of 3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (CID 67462440) is 3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.
What is the SMILES notation for 3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The canonical SMILES for 3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is Cl.OC1(c2cccnn2)CC2CCC(C1)N2.
What is the InChIKey of 3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The InChIKey is CAIBABLKVGENSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.ClH/c15-11(10-2-1-5-12-14-10)6-8-3-4-9(7-11)13-8;/h1-2,5,8-9,13,15H,3-4,6-7H2;1H.
What are the key properties of 3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is sourced from PubChem (CID 67462440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).