1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one

C13H18N6O2 — CID 126850623

IUPAC1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1C2CCC1CC(n1ccnn1)C2
InChIInChI=1S/C13H18N6O2/c20-12-14-3-5-17(12)13(21)19-9-1-2-10(19)8-11(7-9)18-6-4-15-16-18/h4,6,9-11H,1-3,5,7-8H2,(H,14,20)
InChIKeyZHGZOLXWLXDYCP-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.59
Rot. Bonds1

About 1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one

1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one (PubChem CID 126850623) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one
PubChem CID126850623
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1C2CCC1CC(n1ccnn1)C2
InChIInChI=1S/C13H18N6O2/c20-12-14-3-5-17(12)13(21)19-9-1-2-10(19)8-11(7-9)18-6-4-15-16-18/h4,6,9-11H,1-3,5,7-8H2,(H,14,20)
InChIKeyZHGZOLXWLXDYCP-UHFFFAOYSA-N
XLogP0.59
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one (CID 126850623) is 1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one is O=C1NCCN1C(=O)N1C2CCC1CC(n1ccnn1)C2.
What is the InChIKey of 1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one?
The InChIKey is ZHGZOLXWLXDYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c20-12-14-3-5-17(12)13(21)19-9-1-2-10(19)8-11(7-9)18-6-4-15-16-18/h4,6,9-11H,1-3,5,7-8H2,(H,14,20).
What are the key properties of 1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one?
1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one has a molecular weight of 290.33 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 126850623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).