[1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone

C24H28N4O — CID 42244311

IUPAC[1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cn(Cc3cccc4ccccc34)nn2)C1
InChIInChI=1S/C24H28N4O/c1-23(2)11-19-12-24(3,15-23)16-28(19)22(29)21-14-27(26-25-21)13-18-9-6-8-17-7-4-5-10-20(17)18/h4-10,14,19H,11-13,15-16H2,1-3H3/t19-,24-/m1/s1
InChIKeyBUCGCIRPOIUMLB-NTKDMRAZSA-N
MW388.52 g/mol
LogP4.52
Rot. Bonds3

About [1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone

[1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone (PubChem CID 42244311) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is [1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone.

Molecular Properties

Compound Name[1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
PubChem CID42244311
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name[1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cn(Cc3cccc4ccccc34)nn2)C1
InChIInChI=1S/C24H28N4O/c1-23(2)11-19-12-24(3,15-23)16-28(19)22(29)21-14-27(26-25-21)13-18-9-6-8-17-7-4-5-10-20(17)18/h4-10,14,19H,11-13,15-16H2,1-3H3/t19-,24-/m1/s1
InChIKeyBUCGCIRPOIUMLB-NTKDMRAZSA-N
XLogP4.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone with MolForge

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Related Compounds

(1-methyltriazol-4-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 110436935
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 42194310
2-phenyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
CID 3154303
[1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 42212158
[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 42519464
4-(1H-indol-3-yl)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-1-one
CID 154808721
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 42213389
5-[(2-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46169277
1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 5130823
N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56881683
N-(2-adamantyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 25371189
[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 26407162

Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The IUPAC name of [1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone (CID 42244311) is [1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone.
What is the SMILES notation for [1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The canonical SMILES for [1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone is CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cn(Cc3cccc4ccccc34)nn2)C1.
What is the InChIKey of [1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The InChIKey is BUCGCIRPOIUMLB-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H28N4O/c1-23(2)11-19-12-24(3,15-23)16-28(19)22(29)21-14-27(26-25-21)13-18-9-6-8-17-7-4-5-10-20(17)18/h4-10,14,19H,11-13,15-16H2,1-3H3/t19-,24-/m1/s1.
What are the key properties of [1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
[1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone has a molecular weight of 388.52 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone is sourced from PubChem (CID 42244311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).