8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine

C11H15ClN4 — CID 61235576

IUPAC8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2c1ccc(Cl)nn1
InChIInChI=1S/C11H15ClN4/c12-10-3-4-11(15-14-10)16-8-1-2-9(16)6-7(13)5-8/h3-4,7-9H,1-2,5-6,13H2
InChIKeyGHTBXACCOVZKHQ-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.59
Rot. Bonds1

About 8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine

8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61235576) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61235576
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2c1ccc(Cl)nn1
InChIInChI=1S/C11H15ClN4/c12-10-3-4-11(15-14-10)16-8-1-2-9(16)6-7(13)5-8/h3-4,7-9H,1-2,5-6,13H2
InChIKeyGHTBXACCOVZKHQ-UHFFFAOYSA-N
XLogP1.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61235576) is 8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2c1ccc(Cl)nn1.
What is the InChIKey of 8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GHTBXACCOVZKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c12-10-3-4-11(15-14-10)16-8-1-2-9(16)6-7(13)5-8/h3-4,7-9H,1-2,5-6,13H2.
What are the key properties of 8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 238.72 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloropyridazin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61235576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).