2-hydroxytriazole

C2H3N3O — CID 6453975

IUPAC2-hydroxytriazole
SMILESOn1nccn1
InChIInChI=1S/C2H3N3O/c6-5-3-1-2-4-5/h1-2,6H
InChIKeyGUYVHXUTASLLDR-UHFFFAOYSA-N
MW85.07 g/mol
LogP-0.48
Rot. Bonds

About 2-hydroxytriazole

2-hydroxytriazole (PubChem CID 6453975) has the molecular formula C2H3N3O and a molecular weight of 85.07 g/mol. Its IUPAC name is 2-hydroxytriazole.

Molecular Properties

Compound Name2-hydroxytriazole
PubChem CID6453975
Molecular FormulaC2H3N3O
Molecular Weight85.07 g/mol
Exact Mass85.03
IUPAC Name2-hydroxytriazole
SMILESOn1nccn1
InChIInChI=1S/C2H3N3O/c6-5-3-1-2-4-5/h1-2,6H
InChIKeyGUYVHXUTASLLDR-UHFFFAOYSA-N
XLogP-0.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.07
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-hydroxytriazole?
The IUPAC name of 2-hydroxytriazole (CID 6453975) is 2-hydroxytriazole.
What is the SMILES notation for 2-hydroxytriazole?
The canonical SMILES for 2-hydroxytriazole is On1nccn1.
What is the InChIKey of 2-hydroxytriazole?
The InChIKey is GUYVHXUTASLLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3O/c6-5-3-1-2-4-5/h1-2,6H.
What are the key properties of 2-hydroxytriazole?
2-hydroxytriazole has a molecular weight of 85.07 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxytriazole is sourced from PubChem (CID 6453975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).