5-methyl-2,1,3-benzoxadiazole

C7H6N2O — CID 519763

IUPAC5-methyl-2,1,3-benzoxadiazole
SMILESCc1ccc2nonc2c1
InChIInChI=1S/C7H6N2O/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3
InChIKeyRRZFDFYIDRCBCQ-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.53
Rot. Bonds

About 5-methyl-2,1,3-benzoxadiazole

5-methyl-2,1,3-benzoxadiazole (PubChem CID 519763) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 5-methyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-methyl-2,1,3-benzoxadiazole
PubChem CID519763
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name5-methyl-2,1,3-benzoxadiazole
SMILESCc1ccc2nonc2c1
InChIInChI=1S/C7H6N2O/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3
InChIKeyRRZFDFYIDRCBCQ-UHFFFAOYSA-N
XLogP1.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,1,3-benzoxadiazole?
The IUPAC name of 5-methyl-2,1,3-benzoxadiazole (CID 519763) is 5-methyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-methyl-2,1,3-benzoxadiazole?
The canonical SMILES for 5-methyl-2,1,3-benzoxadiazole is Cc1ccc2nonc2c1.
What is the InChIKey of 5-methyl-2,1,3-benzoxadiazole?
The InChIKey is RRZFDFYIDRCBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3.
What are the key properties of 5-methyl-2,1,3-benzoxadiazole?
5-methyl-2,1,3-benzoxadiazole has a molecular weight of 134.14 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 519763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).