2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone

C14H20N4O — CID 131701875

IUPAC2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESO=C(CC1CC1)N1C2CCC1CC(n1ccnn1)C2
InChIInChI=1S/C14H20N4O/c19-14(7-10-1-2-10)18-11-3-4-12(18)9-13(8-11)17-6-5-15-16-17/h5-6,10-13H,1-4,7-9H2
InChIKeySYQIIGPHFJEUFK-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.77
Rot. Bonds3

About 2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone

2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone (PubChem CID 131701875) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
PubChem CID131701875
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESO=C(CC1CC1)N1C2CCC1CC(n1ccnn1)C2
InChIInChI=1S/C14H20N4O/c19-14(7-10-1-2-10)18-11-3-4-12(18)9-13(8-11)17-6-5-15-16-17/h5-6,10-13H,1-4,7-9H2
InChIKeySYQIIGPHFJEUFK-UHFFFAOYSA-N
XLogP1.77
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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 2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone (CID 131701875) is 2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone is O=C(CC1CC1)N1C2CCC1CC(n1ccnn1)C2.
What is the InChIKey of 2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The InChIKey is SYQIIGPHFJEUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-14(7-10-1-2-10)18-11-3-4-12(18)9-13(8-11)17-6-5-15-16-17/h5-6,10-13H,1-4,7-9H2.
What are the key properties of 2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone has a molecular weight of 260.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone is sourced from PubChem (CID 131701875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).