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

C7H10N2O2 — CID 129297104

IUPAC5-methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
SMILESCC1CCc2nonc2C1O
InChIInChI=1S/C7H10N2O2/c1-4-2-3-5-6(7(4)10)9-11-8-5/h4,7,10H,2-3H2,1H3
InChIKeyFDXMOHNYUBHVSD-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.69
Rot. Bonds

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

5-methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol (PubChem CID 129297104) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol.

Molecular Properties

Compound Name5-methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
PubChem CID129297104
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol
SMILESCC1CCc2nonc2C1O
InChIInChI=1S/C7H10N2O2/c1-4-2-3-5-6(7(4)10)9-11-8-5/h4,7,10H,2-3H2,1H3
InChIKeyFDXMOHNYUBHVSD-UHFFFAOYSA-N
XLogP0.69
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
The IUPAC name of 5-methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol (CID 129297104) is 5-methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol.
What is the SMILES notation for 5-methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
The canonical SMILES for 5-methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol is CC1CCc2nonc2C1O.
What is the InChIKey of 5-methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
The InChIKey is FDXMOHNYUBHVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-2-3-5-6(7(4)10)9-11-8-5/h4,7,10H,2-3H2,1H3.
What are the key properties of 5-methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol?
5-methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol has a molecular weight of 154.17 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-ol is sourced from PubChem (CID 129297104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).