5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol

C8H12N2O2 — CID 129297100

IUPAC5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
SMILESCCC1CCc2nonc2C1O
InChIInChI=1S/C8H12N2O2/c1-2-5-3-4-6-7(8(5)11)10-12-9-6/h5,8,11H,2-4H2,1H3
InChIKeyVOELTAOECBKEDF-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.08
Rot. Bonds1

About 5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol

5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol (PubChem CID 129297100) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol.

Molecular Properties

Compound Name5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
PubChem CID129297100
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
SMILESCCC1CCc2nonc2C1O
InChIInChI=1S/C8H12N2O2/c1-2-5-3-4-6-7(8(5)11)10-12-9-6/h5,8,11H,2-4H2,1H3
InChIKeyVOELTAOECBKEDF-UHFFFAOYSA-N
XLogP1.08
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-4,5,6,7-tetrahydro-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 5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
The IUPAC name of 5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol (CID 129297100) is 5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol.
What is the SMILES notation for 5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
The canonical SMILES for 5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol is CCC1CCc2nonc2C1O.
What is the InChIKey of 5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
The InChIKey is VOELTAOECBKEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-5-3-4-6-7(8(5)11)10-12-9-6/h5,8,11H,2-4H2,1H3.
What are the key properties of 5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol has a molecular weight of 168.20 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol is sourced from PubChem (CID 129297100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).