2,1,3-benzoxadiazol-5-ol

C6H4N2O2 — CID 135456836

IUPAC2,1,3-benzoxadiazol-5-ol
SMILESOc1ccc2nonc2c1
InChIInChI=1S/C6H4N2O2/c9-4-1-2-5-6(3-4)8-10-7-5/h1-3,9H
InChIKeyYTXFOSVCYYHADT-UHFFFAOYSA-N
MW136.11 g/mol
LogP0.93
Rot. Bonds

About 2,1,3-benzoxadiazol-5-ol

2,1,3-benzoxadiazol-5-ol (PubChem CID 135456836) has the molecular formula C6H4N2O2 and a molecular weight of 136.11 g/mol. Its IUPAC name is 2,1,3-benzoxadiazol-5-ol.

Molecular Properties

Compound Name2,1,3-benzoxadiazol-5-ol
PubChem CID135456836
Molecular FormulaC6H4N2O2
Molecular Weight136.11 g/mol
Exact Mass136.03
IUPAC Name2,1,3-benzoxadiazol-5-ol
SMILESOc1ccc2nonc2c1
InChIInChI=1S/C6H4N2O2/c9-4-1-2-5-6(3-4)8-10-7-5/h1-3,9H
InChIKeyYTXFOSVCYYHADT-UHFFFAOYSA-N
XLogP0.93
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,1,3-benzoxadiazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methoxybenzofurazan 3-oxide
CID 548515
2,1,3-Benzothiadiazol-4-ol
CID 4914673
5-Methoxybenzofurazan
CID 138228
5-Hydroxybenzotriazole
CID 135420616
2,1,3-Benzothiadiazol-5-ol
CID 2771886
4-Hydroxybenzofurazan
CID 135542663
2-(4-hydroxyphenyl)-2h-benzotriazole N-oxide
CID 14360836
4-Hydroxy-7-nitrobenzofurazan
CID 135485947
5-Methoxybenzofurazan-1-oxide
CID 321028
Trifluoro-methanesulfonic acid benzo[1,2,5]oxadiazol-5-yl ester
CID 86059660
2,1,3-Benzoxadiazol-5-yl methanesulfonate
CID 2821742
2-(2,1,3-Benzoxadiazol-5-yloxy)acetonitrile
CID 2821800

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzoxadiazol-5-ol?
The IUPAC name of 2,1,3-benzoxadiazol-5-ol (CID 135456836) is 2,1,3-benzoxadiazol-5-ol.
What is the SMILES notation for 2,1,3-benzoxadiazol-5-ol?
The canonical SMILES for 2,1,3-benzoxadiazol-5-ol is Oc1ccc2nonc2c1.
What is the InChIKey of 2,1,3-benzoxadiazol-5-ol?
The InChIKey is YTXFOSVCYYHADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2/c9-4-1-2-5-6(3-4)8-10-7-5/h1-3,9H.
What are the key properties of 2,1,3-benzoxadiazol-5-ol?
2,1,3-benzoxadiazol-5-ol has a molecular weight of 136.11 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzoxadiazol-5-ol is sourced from PubChem (CID 135456836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).