1,1,3-trihydroxy-1,3,5-triazinan-1-ium

C3H10N3O3+ — CID 90705751

IUPAC1,1,3-trihydroxy-1,3,5-triazinan-1-ium
SMILESON1CNC[N+](O)(O)C1
InChIInChI=1S/C3H10N3O3/c7-5-1-4-2-6(8,9)3-5/h4,7-9H,1-3H2/q+1
InChIKeyULFDAWRIHIMELJ-UHFFFAOYSA-N
MW136.13 g/mol
LogP-1.25
Rot. Bonds

About 1,1,3-trihydroxy-1,3,5-triazinan-1-ium

1,1,3-trihydroxy-1,3,5-triazinan-1-ium (PubChem CID 90705751) has the molecular formula C3H10N3O3+ and a molecular weight of 136.13 g/mol. Its IUPAC name is 1,1,3-trihydroxy-1,3,5-triazinan-1-ium.

Molecular Properties

Compound Name1,1,3-trihydroxy-1,3,5-triazinan-1-ium
PubChem CID90705751
Molecular FormulaC3H10N3O3+
Molecular Weight136.13 g/mol
Exact Mass136.07
IUPAC Name1,1,3-trihydroxy-1,3,5-triazinan-1-ium
SMILESON1CNC[N+](O)(O)C1
InChIInChI=1S/C3H10N3O3/c7-5-1-4-2-6(8,9)3-5/h4,7-9H,1-3H2/q+1
InChIKeyULFDAWRIHIMELJ-UHFFFAOYSA-N
XLogP-1.25
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trihydroxy-1,3,5-triazinan-1-ium?
The IUPAC name of 1,1,3-trihydroxy-1,3,5-triazinan-1-ium (CID 90705751) is 1,1,3-trihydroxy-1,3,5-triazinan-1-ium.
What is the SMILES notation for 1,1,3-trihydroxy-1,3,5-triazinan-1-ium?
The canonical SMILES for 1,1,3-trihydroxy-1,3,5-triazinan-1-ium is ON1CNC[N+](O)(O)C1.
What is the InChIKey of 1,1,3-trihydroxy-1,3,5-triazinan-1-ium?
The InChIKey is ULFDAWRIHIMELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N3O3/c7-5-1-4-2-6(8,9)3-5/h4,7-9H,1-3H2/q+1.
What are the key properties of 1,1,3-trihydroxy-1,3,5-triazinan-1-ium?
1,1,3-trihydroxy-1,3,5-triazinan-1-ium has a molecular weight of 136.13 g/mol, XLogP of -1.25, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trihydroxy-1,3,5-triazinan-1-ium is sourced from PubChem (CID 90705751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).