1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine]

C13H19N4+ — CID 69341066

IUPAC1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine]
SMILESc1cnnc([N+]23CCC(CC24CCNC4)C3)c1
InChIInChI=1S/C13H19N4/c1-2-12(16-15-5-1)17-7-3-11(9-17)8-13(17)4-6-14-10-13/h1-2,5,11,14H,3-4,6-10H2/q+1
InChIKeySXUWGZXHAAPQHC-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.94
Rot. Bonds1

About 1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine]

1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine] (PubChem CID 69341066) has the molecular formula C13H19N4+ and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine].

Molecular Properties

Compound Name1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine]
PubChem CID69341066
Molecular FormulaC13H19N4+
Molecular Weight231.32 g/mol
Exact Mass231.16
IUPAC Name1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine]
SMILESc1cnnc([N+]23CCC(CC24CCNC4)C3)c1
InChIInChI=1S/C13H19N4/c1-2-12(16-15-5-1)17-7-3-11(9-17)8-13(17)4-6-14-10-13/h1-2,5,11,14H,3-4,6-10H2/q+1
InChIKeySXUWGZXHAAPQHC-UHFFFAOYSA-N
XLogP0.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
CID 69341568
(3S)-3-phenylpyrrolidine-3-carbonitrile
CID 124673264
4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride
CID 67562162
2-phenyl-5-azaspiro[2.4]heptane
CID 84654707
(2R,3S)-2-phenyl-5-azaspiro[2.4]heptane
CID 121315230
N-pyridazin-3-ylazepan-4-amine
CID 107173783
3-cyclopentylpyridazine
CID 57011827
1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride
CID 120900106
1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 19095551
N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine
CID 62483877
3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 112650921
(3S)-3-(6-methyl-3-pyridinyl)pyrrolidin-3-ol
CID 124508626

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine]?
The IUPAC name of 1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine] (CID 69341066) is 1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine].
What is the SMILES notation for 1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine]?
The canonical SMILES for 1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine] is c1cnnc([N+]23CCC(CC24CCNC4)C3)c1.
What is the InChIKey of 1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine]?
The InChIKey is SXUWGZXHAAPQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N4/c1-2-12(16-15-5-1)17-7-3-11(9-17)8-13(17)4-6-14-10-13/h1-2,5,11,14H,3-4,6-10H2/q+1.
What are the key properties of 1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine]?
1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine] has a molecular weight of 231.32 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine] is sourced from PubChem (CID 69341066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).