N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide

C13H21N5O — CID 57340875

IUPACN-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cn(C2C[C@H]3CC[C@@H](C2)N3C)nn1
InChIInChI=1S/C13H21N5O/c1-9(19)14-7-10-8-18(16-15-10)13-5-11-3-4-12(6-13)17(11)2/h8,11-13H,3-7H2,1-2H3,(H,14,19)/t11-,12+,13?
InChIKeyUBOSGGWPRZTGDV-FUNVUKJBSA-N
MW263.34 g/mol
LogP0.71
Rot. Bonds3

About N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide

N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide (PubChem CID 57340875) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide
PubChem CID57340875
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cn(C2C[C@H]3CC[C@@H](C2)N3C)nn1
InChIInChI=1S/C13H21N5O/c1-9(19)14-7-10-8-18(16-15-10)13-5-11-3-4-12(6-13)17(11)2/h8,11-13H,3-7H2,1-2H3,(H,14,19)/t11-,12+,13?
InChIKeyUBOSGGWPRZTGDV-FUNVUKJBSA-N
XLogP0.71
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide (CID 57340875) is N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide is CC(=O)NCc1cn(C2C[C@H]3CC[C@@H](C2)N3C)nn1.
What is the InChIKey of N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide?
The InChIKey is UBOSGGWPRZTGDV-FUNVUKJBSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9(19)14-7-10-8-18(16-15-10)13-5-11-3-4-12(6-13)17(11)2/h8,11-13H,3-7H2,1-2H3,(H,14,19)/t11-,12+,13?.
What are the key properties of N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide?
N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 57340875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).