2H-benzotriazol-5-ol

C6H5N3O — CID 135420616

IUPAC2H-benzotriazol-5-ol
SMILESOc1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3O/c10-4-1-2-5-6(3-4)8-9-7-5/h1-3,10H,(H,7,8,9)
InChIKeyUVSNFZAOYHOOJO-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.66
Rot. Bonds

About 2H-benzotriazol-5-ol

2H-benzotriazol-5-ol (PubChem CID 135420616) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 2H-benzotriazol-5-ol.

Molecular Properties

Compound Name2H-benzotriazol-5-ol
PubChem CID135420616
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name2H-benzotriazol-5-ol
SMILESOc1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3O/c10-4-1-2-5-6(3-4)8-9-7-5/h1-3,10H,(H,7,8,9)
InChIKeyUVSNFZAOYHOOJO-UHFFFAOYSA-N
XLogP0.66
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-ol?
The IUPAC name of 2H-benzotriazol-5-ol (CID 135420616) is 2H-benzotriazol-5-ol.
What is the SMILES notation for 2H-benzotriazol-5-ol?
The canonical SMILES for 2H-benzotriazol-5-ol is Oc1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazol-5-ol?
The InChIKey is UVSNFZAOYHOOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-4-1-2-5-6(3-4)8-9-7-5/h1-3,10H,(H,7,8,9).
What are the key properties of 2H-benzotriazol-5-ol?
2H-benzotriazol-5-ol has a molecular weight of 135.13 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-ol is sourced from PubChem (CID 135420616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).