6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione

C6H8N4O3 — CID 63091585

IUPAC6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CC(O)C2)c(=O)[nH]1
InChIInChI=1S/C6H8N4O3/c11-3-1-10(2-3)4-5(12)7-6(13)9-8-4/h3,11H,1-2H2,(H2,7,9,12,13)
InChIKeyMRBYOWGHANYIBG-UHFFFAOYSA-N
MW184.15 g/mol
LogP-2.36
Rot. Bonds1

About 6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione

6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione (PubChem CID 63091585) has the molecular formula C6H8N4O3 and a molecular weight of 184.15 g/mol. Its IUPAC name is 6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione
PubChem CID63091585
Molecular FormulaC6H8N4O3
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC Name6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CC(O)C2)c(=O)[nH]1
InChIInChI=1S/C6H8N4O3/c11-3-1-10(2-3)4-5(12)7-6(13)9-8-4/h3,11H,1-2H2,(H2,7,9,12,13)
InChIKeyMRBYOWGHANYIBG-UHFFFAOYSA-N
XLogP-2.36
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-2.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione (CID 63091585) is 6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(N2CC(O)C2)c(=O)[nH]1.
What is the InChIKey of 6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is MRBYOWGHANYIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c11-3-1-10(2-3)4-5(12)7-6(13)9-8-4/h3,11H,1-2H2,(H2,7,9,12,13).
What are the key properties of 6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 184.15 g/mol, XLogP of -2.36, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63091585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).