6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid

C6H7N3O3 — CID 82412967

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid
SMILESO=C(O)c1nnc2n1CCOC2
InChIInChI=1S/C6H7N3O3/c10-6(11)5-8-7-4-3-12-2-1-9(4)5/h1-3H2,(H,10,11)
InChIKeyDXLOMAOPLDRRMR-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.49
Rot. Bonds1

About 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid

6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid (PubChem CID 82412967) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid
PubChem CID82412967
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid
SMILESO=C(O)c1nnc2n1CCOC2
InChIInChI=1S/C6H7N3O3/c10-6(11)5-8-7-4-3-12-2-1-9(4)5/h1-3H2,(H,10,11)
InChIKeyDXLOMAOPLDRRMR-UHFFFAOYSA-N
XLogP-0.49
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid (CID 82412967) is 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid is O=C(O)c1nnc2n1CCOC2.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid?
The InChIKey is DXLOMAOPLDRRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c10-6(11)5-8-7-4-3-12-2-1-9(4)5/h1-3H2,(H,10,11).
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid?
6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylic acid is sourced from PubChem (CID 82412967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).