2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid

C7H9N3O3 — CID 82407390

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid
SMILESO=C(O)Cc1nnc2n1CCOC2
InChIInChI=1S/C7H9N3O3/c11-7(12)3-5-8-9-6-4-13-2-1-10(5)6/h1-4H2,(H,11,12)
InChIKeySSPWGFZESFIBDD-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.56
Rot. Bonds2

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid

2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid (PubChem CID 82407390) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid
PubChem CID82407390
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid
SMILESO=C(O)Cc1nnc2n1CCOC2
InChIInChI=1S/C7H9N3O3/c11-7(12)3-5-8-9-6-4-13-2-1-10(5)6/h1-4H2,(H,11,12)
InChIKeySSPWGFZESFIBDD-UHFFFAOYSA-N
XLogP-0.56
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid (CID 82407390) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid is O=C(O)Cc1nnc2n1CCOC2.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid?
The InChIKey is SSPWGFZESFIBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-7(12)3-5-8-9-6-4-13-2-1-10(5)6/h1-4H2,(H,11,12).
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid?
2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid has a molecular weight of 183.17 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)acetic acid is sourced from PubChem (CID 82407390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).