cyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C14H20N4O — CID 121019025

IUPACcyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(C1CCC1)N1C2CCC1CC(n1nccn1)C2
InChIInChI=1S/C14H20N4O/c19-14(10-2-1-3-10)17-11-4-5-12(17)9-13(8-11)18-15-6-7-16-18/h6-7,10-13H,1-5,8-9H2
InChIKeyANONOUOZOCZYRT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.77
Rot. Bonds2

About cyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

cyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 121019025) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is cyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID121019025
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Namecyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(C1CCC1)N1C2CCC1CC(n1nccn1)C2
InChIInChI=1S/C14H20N4O/c19-14(10-2-1-3-10)17-11-4-5-12(17)9-13(8-11)18-15-6-7-16-18/h6-7,10-13H,1-5,8-9H2
InChIKeyANONOUOZOCZYRT-UHFFFAOYSA-N
XLogP1.77
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of cyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 121019025) is cyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for cyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is O=C(C1CCC1)N1C2CCC1CC(n1nccn1)C2.
What is the InChIKey of cyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is ANONOUOZOCZYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-14(10-2-1-3-10)17-11-4-5-12(17)9-13(8-11)18-15-6-7-16-18/h6-7,10-13H,1-5,8-9H2.
What are the key properties of cyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
cyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 121019025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).