1-hydroxytriazole;hydrate

C2H5N3O2 — CID 23103484

IUPAC1-hydroxytriazole;hydrate
SMILESO.On1ccnn1
InChIInChI=1S/C2H3N3O.H2O/c6-5-2-1-3-4-5;/h1-2,6H;1H2
InChIKeyYFTVHIPOYKFWBU-UHFFFAOYSA-N
MW103.08 g/mol
LogP-1.31
Rot. Bonds

About 1-hydroxytriazole;hydrate

1-hydroxytriazole;hydrate (PubChem CID 23103484) has the molecular formula C2H5N3O2 and a molecular weight of 103.08 g/mol. Its IUPAC name is 1-hydroxytriazole;hydrate.

Molecular Properties

Compound Name1-hydroxytriazole;hydrate
PubChem CID23103484
Molecular FormulaC2H5N3O2
Molecular Weight103.08 g/mol
Exact Mass103.04
IUPAC Name1-hydroxytriazole;hydrate
SMILESO.On1ccnn1
InChIInChI=1S/C2H3N3O.H2O/c6-5-2-1-3-4-5;/h1-2,6H;1H2
InChIKeyYFTVHIPOYKFWBU-UHFFFAOYSA-N
XLogP-1.31
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.08
LogP ≤ 5-1.31
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;hydrate?
The IUPAC name of 1-hydroxytriazole;hydrate (CID 23103484) is 1-hydroxytriazole;hydrate.
What is the SMILES notation for 1-hydroxytriazole;hydrate?
The canonical SMILES for 1-hydroxytriazole;hydrate is O.On1ccnn1.
What is the InChIKey of 1-hydroxytriazole;hydrate?
The InChIKey is YFTVHIPOYKFWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3O.H2O/c6-5-2-1-3-4-5;/h1-2,6H;1H2.
What are the key properties of 1-hydroxytriazole;hydrate?
1-hydroxytriazole;hydrate has a molecular weight of 103.08 g/mol, XLogP of -1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxytriazole;hydrate is sourced from PubChem (CID 23103484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).