6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide

C12H17N5O — CID 62154374

IUPAC6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide
SMILESNc1ccc(C(=O)NC2CN3CCC2CC3)nn1
InChIInChI=1S/C12H17N5O/c13-11-2-1-9(15-16-11)12(18)14-10-7-17-5-3-8(10)4-6-17/h1-2,8,10H,3-7H2,(H2,13,16)(H,14,18)
InChIKeyWQGDEUYXSGKREX-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.12
Rot. Bonds2

About 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide

6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide (PubChem CID 62154374) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide
PubChem CID62154374
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide
SMILESNc1ccc(C(=O)NC2CN3CCC2CC3)nn1
InChIInChI=1S/C12H17N5O/c13-11-2-1-9(15-16-11)12(18)14-10-7-17-5-3-8(10)4-6-17/h1-2,8,10H,3-7H2,(H2,13,16)(H,14,18)
InChIKeyWQGDEUYXSGKREX-UHFFFAOYSA-N
XLogP-0.12
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloropyridazine-3-carboxamide
CID 60858694
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 62165513
6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide
CID 80731683
6-amino-N-(2-methylcyclopropyl)pyridazine-3-carboxamide
CID 62408857
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-fluoropyridine-2-carboxamide
CID 22243459
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-fluoropyridine-2-carboxamide
CID 22243337
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide
CID 58651148
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 22243249
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide (CID 62154374) is 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide is Nc1ccc(C(=O)NC2CN3CCC2CC3)nn1.
What is the InChIKey of 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide?
The InChIKey is WQGDEUYXSGKREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c13-11-2-1-9(15-16-11)12(18)14-10-7-17-5-3-8(10)4-6-17/h1-2,8,10H,3-7H2,(H2,13,16)(H,14,18).
What are the key properties of 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide?
6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 62154374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).