1-hydroxy-1,3,5-triazin-1-ium

C3H4N3O+ — CID 123616334

IUPAC1-hydroxy-1,3,5-triazin-1-ium
SMILESO[n+]1cncnc1
InChIInChI=1S/C3H4N3O/c7-6-2-4-1-5-3-6/h1-3,7H/q+1
InChIKeyQQOPIWRVWAMUDK-UHFFFAOYSA-N
MW98.08 g/mol
LogP-1.00
Rot. Bonds

About 1-hydroxy-1,3,5-triazin-1-ium

1-hydroxy-1,3,5-triazin-1-ium (PubChem CID 123616334) has the molecular formula C3H4N3O+ and a molecular weight of 98.08 g/mol. Its IUPAC name is 1-hydroxy-1,3,5-triazin-1-ium.

Molecular Properties

Compound Name1-hydroxy-1,3,5-triazin-1-ium
PubChem CID123616334
Molecular FormulaC3H4N3O+
Molecular Weight98.08 g/mol
Exact Mass98.03
IUPAC Name1-hydroxy-1,3,5-triazin-1-ium
SMILESO[n+]1cncnc1
InChIInChI=1S/C3H4N3O/c7-6-2-4-1-5-3-6/h1-3,7H/q+1
InChIKeyQQOPIWRVWAMUDK-UHFFFAOYSA-N
XLogP-1.00
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.08
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,3,5-triazin-1-ium?
The IUPAC name of 1-hydroxy-1,3,5-triazin-1-ium (CID 123616334) is 1-hydroxy-1,3,5-triazin-1-ium.
What is the SMILES notation for 1-hydroxy-1,3,5-triazin-1-ium?
The canonical SMILES for 1-hydroxy-1,3,5-triazin-1-ium is O[n+]1cncnc1.
What is the InChIKey of 1-hydroxy-1,3,5-triazin-1-ium?
The InChIKey is QQOPIWRVWAMUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N3O/c7-6-2-4-1-5-3-6/h1-3,7H/q+1.
What are the key properties of 1-hydroxy-1,3,5-triazin-1-ium?
1-hydroxy-1,3,5-triazin-1-ium has a molecular weight of 98.08 g/mol, XLogP of -1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,3,5-triazin-1-ium is sourced from PubChem (CID 123616334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).