1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine

C8H8N8O — CID 122608290

IUPAC1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine
SMILESOn1nnc2cc(NCc3nn[nH]n3)ccc21
InChIInChI=1S/C8H8N8O/c17-16-7-2-1-5(3-6(7)10-15-16)9-4-8-11-13-14-12-8/h1-3,9,17H,4H2,(H,11,12,13,14)
InChIKeyDWZKFBAAAYKDGT-UHFFFAOYSA-N
MW232.21 g/mol
LogP-0.21
Rot. Bonds3

About 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine

1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine (PubChem CID 122608290) has the molecular formula C8H8N8O and a molecular weight of 232.21 g/mol. Its IUPAC name is 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine.

Molecular Properties

Compound Name1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine
PubChem CID122608290
Molecular FormulaC8H8N8O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine
SMILESOn1nnc2cc(NCc3nn[nH]n3)ccc21
InChIInChI=1S/C8H8N8O/c17-16-7-2-1-5(3-6(7)10-15-16)9-4-8-11-13-14-12-8/h1-3,9,17H,4H2,(H,11,12,13,14)
InChIKeyDWZKFBAAAYKDGT-UHFFFAOYSA-N
XLogP-0.21
TPSA117.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine?
The IUPAC name of 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine (CID 122608290) is 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine.
What is the SMILES notation for 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine?
The canonical SMILES for 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine is On1nnc2cc(NCc3nn[nH]n3)ccc21.
What is the InChIKey of 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine?
The InChIKey is DWZKFBAAAYKDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N8O/c17-16-7-2-1-5(3-6(7)10-15-16)9-4-8-11-13-14-12-8/h1-3,9,17H,4H2,(H,11,12,13,14).
What are the key properties of 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine?
1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine has a molecular weight of 232.21 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(2H-tetrazol-5-ylmethyl)benzotriazol-5-amine is sourced from PubChem (CID 122608290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).