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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide
CID 80646512
1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone
CID 83705193
1-chloro-3-[(1-methylbenzotriazol-5-yl)amino]propan-2-ol
CID 168637550
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine
CID 168584143
5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56888871
5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 62176193
4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 62157363
6-(4-tert-butylphenoxy)-N-(2H-tetrazol-5-ylmethyl)pyridin-3-amine
CID 155193085
N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine
CID 63587706
4-methyl-3-N-(2H-tetrazol-5-ylmethyl)benzene-1,3-diamine
CID 62590716
6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile
CID 64589167
5-bromo-N-(2H-tetrazol-5-ylmethyl)pyrazin-2-amine
CID 130540599

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).