5,6-dimethoxy-2H-benzotriazole

C8H9N3O2 — CID 20670814

IUPAC5,6-dimethoxy-2H-benzotriazole
SMILESCOc1cc2n[nH]nc2cc1OC
InChIInChI=1S/C8H9N3O2/c1-12-7-3-5-6(10-11-9-5)4-8(7)13-2/h3-4H,1-2H3,(H,9,10,11)
InChIKeyLDOWCTGCDBYSFD-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.98
Rot. Bonds2

About 5,6-dimethoxy-2H-benzotriazole

5,6-dimethoxy-2H-benzotriazole (PubChem CID 20670814) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 5,6-dimethoxy-2H-benzotriazole.

Molecular Properties

Compound Name5,6-dimethoxy-2H-benzotriazole
PubChem CID20670814
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name5,6-dimethoxy-2H-benzotriazole
SMILESCOc1cc2n[nH]nc2cc1OC
InChIInChI=1S/C8H9N3O2/c1-12-7-3-5-6(10-11-9-5)4-8(7)13-2/h3-4H,1-2H3,(H,9,10,11)
InChIKeyLDOWCTGCDBYSFD-UHFFFAOYSA-N
XLogP0.98
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2H-benzotriazole?
The IUPAC name of 5,6-dimethoxy-2H-benzotriazole (CID 20670814) is 5,6-dimethoxy-2H-benzotriazole.
What is the SMILES notation for 5,6-dimethoxy-2H-benzotriazole?
The canonical SMILES for 5,6-dimethoxy-2H-benzotriazole is COc1cc2n[nH]nc2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2H-benzotriazole?
The InChIKey is LDOWCTGCDBYSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-12-7-3-5-6(10-11-9-5)4-8(7)13-2/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of 5,6-dimethoxy-2H-benzotriazole?
5,6-dimethoxy-2H-benzotriazole has a molecular weight of 179.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2H-benzotriazole is sourced from PubChem (CID 20670814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).