6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione

C10H14N4O3 — CID 63767987

IUPAC6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2C3CCC2CC(O)C3)c(=O)[nH]1
InChIInChI=1S/C10H14N4O3/c15-7-3-5-1-2-6(4-7)14(5)8-9(16)11-10(17)13-12-8/h5-7,15H,1-4H2,(H2,11,13,16,17)
InChIKeyPLFZOQMRDREBDE-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.05
Rot. Bonds1

About 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione

6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione (PubChem CID 63767987) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione
PubChem CID63767987
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2C3CCC2CC(O)C3)c(=O)[nH]1
InChIInChI=1S/C10H14N4O3/c15-7-3-5-1-2-6(4-7)14(5)8-9(16)11-10(17)13-12-8/h5-7,15H,1-4H2,(H2,11,13,16,17)
InChIKeyPLFZOQMRDREBDE-UHFFFAOYSA-N
XLogP-1.05
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione (CID 63767987) is 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(N2C3CCC2CC(O)C3)c(=O)[nH]1.
What is the InChIKey of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is PLFZOQMRDREBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-7-3-5-1-2-6(4-7)14(5)8-9(16)11-10(17)13-12-8/h5-7,15H,1-4H2,(H2,11,13,16,17).
What are the key properties of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione?
6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 238.25 g/mol, XLogP of -1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63767987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).