nitric acid;1,3,5-triazinane-2,4,6-trione

C3H4N4O6 — CID 174998101

IUPACnitric acid;1,3,5-triazinane-2,4,6-trione
SMILESO=[N+]([O-])O.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C3H3N3O3.HNO3/c7-1-4-2(8)6-3(9)5-1;2-1(3)4/h(H3,4,5,6,7,8,9);(H,2,3,4)
InChIKeyYNVGWYADESEWPP-UHFFFAOYSA-N
MW192.09 g/mol
LogP-2.60
Rot. Bonds

About nitric acid;1,3,5-triazinane-2,4,6-trione

nitric acid;1,3,5-triazinane-2,4,6-trione (PubChem CID 174998101) has the molecular formula C3H4N4O6 and a molecular weight of 192.09 g/mol. Its IUPAC name is nitric acid;1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Namenitric acid;1,3,5-triazinane-2,4,6-trione
PubChem CID174998101
Molecular FormulaC3H4N4O6
Molecular Weight192.09 g/mol
Exact Mass192.01
IUPAC Namenitric acid;1,3,5-triazinane-2,4,6-trione
SMILESO=[N+]([O-])O.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C3H3N3O3.HNO3/c7-1-4-2(8)6-3(9)5-1;2-1(3)4/h(H3,4,5,6,7,8,9);(H,2,3,4)
InChIKeyYNVGWYADESEWPP-UHFFFAOYSA-N
XLogP-2.60
TPSA161.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitric acid;1,3,5-triazinane-2,4,6-trione?
The IUPAC name of nitric acid;1,3,5-triazinane-2,4,6-trione (CID 174998101) is nitric acid;1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for nitric acid;1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for nitric acid;1,3,5-triazinane-2,4,6-trione is O=[N+]([O-])O.O=c1[nH]c(=O)[nH]c(=O)[nH]1.
What is the InChIKey of nitric acid;1,3,5-triazinane-2,4,6-trione?
The InChIKey is YNVGWYADESEWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.HNO3/c7-1-4-2(8)6-3(9)5-1;2-1(3)4/h(H3,4,5,6,7,8,9);(H,2,3,4).
What are the key properties of nitric acid;1,3,5-triazinane-2,4,6-trione?
nitric acid;1,3,5-triazinane-2,4,6-trione has a molecular weight of 192.09 g/mol, XLogP of -2.60, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 174998101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).