1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole

C13H16N4 — CID 147017179

IUPAC1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole
SMILESc1ccc2c(c1)nnn2C1CC2CCC(C1)N2
InChIInChI=1S/C13H16N4/c1-2-4-13-12(3-1)15-16-17(13)11-7-9-5-6-10(8-11)14-9/h1-4,9-11,14H,5-8H2
InChIKeyAUZRKFPLMXWYIF-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.89
Rot. Bonds1

About 1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole

1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole (PubChem CID 147017179) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole
PubChem CID147017179
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole
SMILESc1ccc2c(c1)nnn2C1CC2CCC(C1)N2
InChIInChI=1S/C13H16N4/c1-2-4-13-12(3-1)15-16-17(13)11-7-9-5-6-10(8-11)14-9/h1-4,9-11,14H,5-8H2
InChIKeyAUZRKFPLMXWYIF-UHFFFAOYSA-N
XLogP1.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzimidazole
CID 53260885
1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(trifluoromethyl)benzimidazole
CID 53260882
1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine
CID 53260727
3-(benzotriazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314241
(3S)-3-(benzotriazol-1-yl)-2,3-dihydroisoindol-1-one
CID 102207544
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1469612
[(1R,2R)-2-(benzotriazol-1-yl)cyclohexyl]carbamic acid
CID 138597703
(NE)-N-[(1S,3S,4R)-3-(benzotriazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 98155311
ethyl 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylate
CID 59450913
N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 53482033
1-[[4-(benzotriazol-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzotriazole
CID 5080622
2-(benzotriazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 3771759

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole (CID 147017179) is 1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole is c1ccc2c(c1)nnn2C1CC2CCC(C1)N2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole?
The InChIKey is AUZRKFPLMXWYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-4-13-12(3-1)15-16-17(13)11-7-9-5-6-10(8-11)14-9/h1-4,9-11,14H,5-8H2.
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole?
1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole has a molecular weight of 228.30 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole is sourced from PubChem (CID 147017179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).