(3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane

C20H22N4O — CID 70980234

IUPAC(3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
SMILESCOc1ccc2cc(-c3cn([C@H]4CN5CCC4CC5)nn3)ccc2c1
InChIInChI=1S/C20H22N4O/c1-25-18-5-4-15-10-17(3-2-16(15)11-18)19-12-24(22-21-19)20-13-23-8-6-14(20)7-9-23/h2-5,10-12,14,20H,6-9,13H2,1H3/t20-/m0/s1
InChIKeyXVIFTSZUMCSORH-FQEVSTJZSA-N
MW334.42 g/mol
LogP3.37
Rot. Bonds3

About (3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane

(3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane (PubChem CID 70980234) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
PubChem CID70980234
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
SMILESCOc1ccc2cc(-c3cn([C@H]4CN5CCC4CC5)nn3)ccc2c1
InChIInChI=1S/C20H22N4O/c1-25-18-5-4-15-10-17(3-2-16(15)11-18)19-12-24(22-21-19)20-13-23-8-6-14(20)7-9-23/h2-5,10-12,14,20H,6-9,13H2,1H3/t20-/m0/s1
InChIKeyXVIFTSZUMCSORH-FQEVSTJZSA-N
XLogP3.37
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane with MolForge

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Related Compounds

7-(6-Methoxynaphthalyl)Triazolylheptahydroxamic Acid
CID 44585332
(3R)-3-[4-(4-methoxyphenyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 70674993
(3R)-3-[4-(2-methoxyphenyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 70674999
(3R)-3-[4-(3-methoxyphenyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 89943908
1-[(3-Methoxyphenyl)methyl]-4-(4-pentylphenyl)triazole
CID 24789346
4-(4-Methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole
CID 24793540
6-(6-Methoxynaphthalyl)Triazolylhexahydroxamic Acid
CID 25014718
N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide
CID 46229585
1-(2-Methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine
CID 122180575
(3R)-3-[4-[4-(2-fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 127042193
(3R)-3-[4-[3-[(4-fluorophenyl)methoxy]phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 146680925
3-[4-[3-(2-Fluoroethoxy)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 155512339

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane?
The IUPAC name of (3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane (CID 70980234) is (3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane is COc1ccc2cc(-c3cn([C@H]4CN5CCC4CC5)nn3)ccc2c1.
What is the InChIKey of (3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane?
The InChIKey is XVIFTSZUMCSORH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N4O/c1-25-18-5-4-15-10-17(3-2-16(15)11-18)19-12-24(22-21-19)20-13-23-8-6-14(20)7-9-23/h2-5,10-12,14,20H,6-9,13H2,1H3/t20-/m0/s1.
What are the key properties of (3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane?
(3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane has a molecular weight of 334.42 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 70980234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).