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

C6H8N2O2 — CID 175738974

IUPAC4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
SMILESOC1CCCc2nonc21
InChIInChI=1S/C6H8N2O2/c9-5-3-1-2-4-6(5)8-10-7-4/h5,9H,1-3H2
InChIKeyXPYNJANYTXQAJH-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.44
Rot. Bonds

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

4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol (PubChem CID 175738974) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
PubChem CID175738974
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
SMILESOC1CCCc2nonc21
InChIInChI=1S/C6H8N2O2/c9-5-3-1-2-4-6(5)8-10-7-4/h5,9H,1-3H2
InChIKeyXPYNJANYTXQAJH-UHFFFAOYSA-N
XLogP0.44
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7E)-7-(hydroxyimino)-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol
CID 135449553
4-hydroxyimino-6,7-dihydro-5H-2,1,3-benzoxadiazol-6-ol
CID 597938
5-Propan-2-yl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
CID 129296480
5-Ethyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
CID 129297100
5-Methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
CID 129297104
1-(4-Methyl-1,2,5-oxadiazol-3-yl)propan-1-ol
CID 176322991
4,5,6,7-tetrahydro-2H-benzotriazol-4-ol
CID 84716204
(4E,6R)-4-hydroxyimino-6,7-dihydro-5H-2,1,3-benzoxadiazol-6-ol
CID 135603235
(4E,6S)-4-hydroxyimino-6,7-dihydro-5H-2,1,3-benzoxadiazol-6-ol
CID 135603236
6-Hydroxy-4-hydroxyimino-4,5,6,7-tetrahydrobenzofurazan
CID 135622990
(4Z,6S)-4-hydroxyimino-6,7-dihydro-5H-2,1,3-benzoxadiazol-6-ol
CID 136904818
(4Z,6R)-4-hydroxyimino-6,7-dihydro-5H-2,1,3-benzoxadiazol-6-ol
CID 136904819

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
The IUPAC name of 4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol (CID 175738974) is 4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol.
What is the SMILES notation for 4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
The canonical SMILES for 4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol is OC1CCCc2nonc21.
What is the InChIKey of 4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
The InChIKey is XPYNJANYTXQAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c9-5-3-1-2-4-6(5)8-10-7-4/h5,9H,1-3H2.
What are the key properties of 4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol has a molecular weight of 140.14 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol is sourced from PubChem (CID 175738974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).