1-hydroxytriazole

C2H3N3O — CID 10877052

IUPAC1-hydroxytriazole
SMILESOn1ccnn1
InChIInChI=1S/C2H3N3O/c6-5-2-1-3-4-5/h1-2,6H
InChIKeyFQKFPGMGQXQHLP-UHFFFAOYSA-N
MW85.07 g/mol
LogP-0.48
Rot. Bonds

About 1-hydroxytriazole

1-hydroxytriazole (PubChem CID 10877052) has the molecular formula C2H3N3O and a molecular weight of 85.07 g/mol. Its IUPAC name is 1-hydroxytriazole.

Molecular Properties

Compound Name1-hydroxytriazole
PubChem CID10877052
Molecular FormulaC2H3N3O
Molecular Weight85.07 g/mol
Exact Mass85.03
IUPAC Name1-hydroxytriazole
SMILESOn1ccnn1
InChIInChI=1S/C2H3N3O/c6-5-2-1-3-4-5/h1-2,6H
InChIKeyFQKFPGMGQXQHLP-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 1-hydroxytriazole?
The IUPAC name of 1-hydroxytriazole (CID 10877052) is 1-hydroxytriazole.
What is the SMILES notation for 1-hydroxytriazole?
The canonical SMILES for 1-hydroxytriazole is On1ccnn1.
What is the InChIKey of 1-hydroxytriazole?
The InChIKey is FQKFPGMGQXQHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3O/c6-5-2-1-3-4-5/h1-2,6H.
What are the key properties of 1-hydroxytriazole?
1-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 1-hydroxytriazole is sourced from PubChem (CID 10877052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).