[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C13H19N5O2 — CID 79320031

IUPAC[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1cn(C2CNC2)nn1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H19N5O2/c19-11-3-8-1-2-9(4-11)18(8)13(20)12-7-17(16-15-12)10-5-14-6-10/h7-11,14,19H,1-6H2
InChIKeyKGGKKFXFRAXDHV-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.45
Rot. Bonds2

About [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 79320031) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID79320031
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1cn(C2CNC2)nn1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H19N5O2/c19-11-3-8-1-2-9(4-11)18(8)13(20)12-7-17(16-15-12)10-5-14-6-10/h7-11,14,19H,1-6H2
InChIKeyKGGKKFXFRAXDHV-UHFFFAOYSA-N
XLogP-0.45
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Related Compounds

7-[1-(azetidin-3-yl)triazole-4-carbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79316337
1-[1-(azetidin-3-yl)triazole-4-carbonyl]azetidine-3-carboxylic acid
CID 79327249
[1-(azetidin-3-yl)triazol-4-yl]-(4-methoxypiperidin-1-yl)methanone
CID 79316756
1-[1-(azetidin-3-yl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 79316304
3-[1-(azetidin-3-yl)triazole-4-carbonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 79316859
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide
CID 103308251
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339
1-[1-(azetidin-3-yl)triazole-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 79319457
2-[1-[1-(azetidin-3-yl)triazole-4-carbonyl]piperidin-4-yl]acetic acid
CID 79612748
[1-(azetidin-3-yl)triazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 79316629

Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 79320031) is [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(c1cn(C2CNC2)nn1)N1C2CCC1CC(O)C2.
What is the InChIKey of [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is KGGKKFXFRAXDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c19-11-3-8-1-2-9(4-11)18(8)13(20)12-7-17(16-15-12)10-5-14-6-10/h7-11,14,19H,1-6H2.
What are the key properties of [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 277.33 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 79320031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).