N-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H21N7 — CID 166304636

IUPACN-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(-c2nnc3ccc(NC4CCC5CCNC4C5)nn23)nc1
InChIInChI=1S/C18H21N7/c1-2-9-19-14(3-1)18-23-22-17-7-6-16(24-25(17)18)21-13-5-4-12-8-10-20-15(13)11-12/h1-3,6-7,9,12-13,15,20H,4-5,8,10-11H2,(H,21,24)
InChIKeyVPBXROXMEYJZBS-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.13
Rot. Bonds3

About N-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 166304636) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID166304636
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC NameN-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(-c2nnc3ccc(NC4CCC5CCNC4C5)nn23)nc1
InChIInChI=1S/C18H21N7/c1-2-9-19-14(3-1)18-23-22-17-7-6-16(24-25(17)18)21-13-5-4-12-8-10-20-15(13)11-12/h1-3,6-7,9,12-13,15,20H,4-5,8,10-11H2,(H,21,24)
InChIKeyVPBXROXMEYJZBS-UHFFFAOYSA-N
XLogP2.13
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 166304636) is N-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is c1ccc(-c2nnc3ccc(NC4CCC5CCNC4C5)nn23)nc1.
What is the InChIKey of N-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is VPBXROXMEYJZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-2-9-19-14(3-1)18-23-22-17-7-6-16(24-25(17)18)21-13-5-4-12-8-10-20-15(13)11-12/h1-3,6-7,9,12-13,15,20H,4-5,8,10-11H2,(H,21,24).
What are the key properties of N-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 335.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 166304636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).