1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium

C3H9N3O3 — CID 88787032

IUPAC1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium
SMILES[O-][NH+]1C[NH+]([O-])C[NH+]([O-])C1
InChIInChI=1S/C3H9N3O3/c7-4-1-5(8)3-6(9)2-4/h4-6H,1-3H2
InChIKeyZVGBQFLDVQRIJU-UHFFFAOYSA-N
MW135.12 g/mol
LogP-4.98
Rot. Bonds

About 1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium

1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium (PubChem CID 88787032) has the molecular formula C3H9N3O3 and a molecular weight of 135.12 g/mol. Its IUPAC name is 1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium.

Molecular Properties

Compound Name1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium
PubChem CID88787032
Molecular FormulaC3H9N3O3
Molecular Weight135.12 g/mol
Exact Mass135.06
IUPAC Name1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium
SMILES[O-][NH+]1C[NH+]([O-])C[NH+]([O-])C1
InChIInChI=1S/C3H9N3O3/c7-4-1-5(8)3-6(9)2-4/h4-6H,1-3H2
InChIKeyZVGBQFLDVQRIJU-UHFFFAOYSA-N
XLogP-4.98
TPSA82.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-4.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Chloro-3-hydroxy-1,3,5-triazinane
CID 22761342
1-Hydroxy-1,3,5-triazinane
CID 70395140
3-Hydroxy-1,3,5-selenadiazinane
CID 87839958
1,1,3-Trihydroxy-1,3,5-triazinan-1-ium
CID 90705751
1-Hydroxy-1,3,5-triazinane-2,4,6-triamine
CID 150772393
1,2,4,6-Oxatriazinane
CID 178634612

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium?
The IUPAC name of 1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium (CID 88787032) is 1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium.
What is the SMILES notation for 1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium?
The canonical SMILES for 1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium is [O-][NH+]1C[NH+]([O-])C[NH+]([O-])C1.
What is the InChIKey of 1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium?
The InChIKey is ZVGBQFLDVQRIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O3/c7-4-1-5(8)3-6(9)2-4/h4-6H,1-3H2.
What are the key properties of 1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium?
1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium has a molecular weight of 135.12 g/mol, XLogP of -4.98, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trioxido-1,3,5-triazinane-1,3,5-triium is sourced from PubChem (CID 88787032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).