(2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]

C14H20N4 — CID 69341568

IUPAC(2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
SMILESc1cnnc(C2C3CCN(CC3)[C@]23CCNC3)c1
InChIInChI=1S/C14H20N4/c1-2-12(17-16-6-1)13-11-3-8-18(9-4-11)14(13)5-7-15-10-14/h1-2,6,11,13,15H,3-5,7-10H2/t13?,14-/m0/s1
InChIKeyOVSXBOWGXOSHCV-KZUDCZAMSA-N
MW244.34 g/mol
LogP1.02
Rot. Bonds1

About (2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]

(2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] (PubChem CID 69341568) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is (2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine].

Molecular Properties

Compound Name(2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
PubChem CID69341568
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name(2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
SMILESc1cnnc(C2C3CCN(CC3)[C@]23CCNC3)c1
InChIInChI=1S/C14H20N4/c1-2-12(17-16-6-1)13-11-3-8-18(9-4-11)14(13)5-7-15-10-14/h1-2,6,11,13,15H,3-5,7-10H2/t13?,14-/m0/s1
InChIKeyOVSXBOWGXOSHCV-KZUDCZAMSA-N
XLogP1.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]
CID 69341514
3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride
CID 69341513
(2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
CID 69341404
1-pyridazin-3-ylspiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine]
CID 69341066
3-cyclopentylpyridazine
CID 57011827
3-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105038
1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyridazin-3-yl-1,4-diazepane;hydrochloride
CID 120900106
3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257105
N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide
CID 90011159
2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid
CID 68975625
3-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 62484087
N-tert-butyl-3-pyridazin-3-ylpiperazin-1-amine
CID 23184535

Frequently Asked Questions

What is the IUPAC name of (2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]?
The IUPAC name of (2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] (CID 69341568) is (2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine].
What is the SMILES notation for (2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]?
The canonical SMILES for (2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] is c1cnnc(C2C3CCN(CC3)[C@]23CCNC3)c1.
What is the InChIKey of (2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]?
The InChIKey is OVSXBOWGXOSHCV-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-12(17-16-6-1)13-11-3-8-18(9-4-11)14(13)5-7-15-10-14/h1-2,6,11,13,15H,3-5,7-10H2/t13?,14-/m0/s1.
What are the key properties of (2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]?
(2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] has a molecular weight of 244.34 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] is sourced from PubChem (CID 69341568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).