7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol

C6H3N5O2 — CID 137210165

IUPAC7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol
SMILESOc1cc2n[nH]nc2c2nonc12
InChIInChI=1S/C6H3N5O2/c12-3-1-2-4(8-11-7-2)6-5(3)9-13-10-6/h1,12H,(H,7,8,11)
InChIKeyLBONQGIMBDYUMM-UHFFFAOYSA-N
MW177.12 g/mol
LogP0.20
Rot. Bonds

About 7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol

7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol (PubChem CID 137210165) has the molecular formula C6H3N5O2 and a molecular weight of 177.12 g/mol. Its IUPAC name is 7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol.

Molecular Properties

Compound Name7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol
PubChem CID137210165
Molecular FormulaC6H3N5O2
Molecular Weight177.12 g/mol
Exact Mass177.03
IUPAC Name7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol
SMILESOc1cc2n[nH]nc2c2nonc12
InChIInChI=1S/C6H3N5O2/c12-3-1-2-4(8-11-7-2)6-5(3)9-13-10-6/h1,12H,(H,7,8,11)
InChIKeyLBONQGIMBDYUMM-UHFFFAOYSA-N
XLogP0.20
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol 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 7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol?
The IUPAC name of 7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol (CID 137210165) is 7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol.
What is the SMILES notation for 7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol?
The canonical SMILES for 7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol is Oc1cc2n[nH]nc2c2nonc12.
What is the InChIKey of 7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol?
The InChIKey is LBONQGIMBDYUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N5O2/c12-3-1-2-4(8-11-7-2)6-5(3)9-13-10-6/h1,12H,(H,7,8,11).
What are the key properties of 7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol?
7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol has a molecular weight of 177.12 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol is sourced from PubChem (CID 137210165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).