aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate

C3H7N5O3 — CID 132647845

IUPACaminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate
SMILESN[NH3+].O=c1nc([O-])[nH]c(=O)[nH]1
InChIInChI=1S/C3H3N3O3.H4N2/c7-1-4-2(8)6-3(9)5-1;1-2/h(H3,4,5,6,7,8,9);1-2H2
InChIKeyREWJAYUHYGWDJT-UHFFFAOYSA-N
MW161.12 g/mol
LogP-4.37
Rot. Bonds

About aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate

aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate (PubChem CID 132647845) has the molecular formula C3H7N5O3 and a molecular weight of 161.12 g/mol. Its IUPAC name is aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate.

Molecular Properties

Compound Nameaminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate
PubChem CID132647845
Molecular FormulaC3H7N5O3
Molecular Weight161.12 g/mol
Exact Mass161.05
IUPAC Nameaminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate
SMILESN[NH3+].O=c1nc([O-])[nH]c(=O)[nH]1
InChIInChI=1S/C3H3N3O3.H4N2/c7-1-4-2(8)6-3(9)5-1;1-2/h(H3,4,5,6,7,8,9);1-2H2
InChIKeyREWJAYUHYGWDJT-UHFFFAOYSA-N
XLogP-4.37
TPSA155.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.12
LogP ≤ 5-4.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate?
The IUPAC name of aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate (CID 132647845) is aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate.
What is the SMILES notation for aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate?
The canonical SMILES for aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate is N[NH3+].O=c1nc([O-])[nH]c(=O)[nH]1.
What is the InChIKey of aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate?
The InChIKey is REWJAYUHYGWDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.H4N2/c7-1-4-2(8)6-3(9)5-1;1-2/h(H3,4,5,6,7,8,9);1-2H2.
What are the key properties of aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate?
aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate has a molecular weight of 161.12 g/mol, XLogP of -4.37, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate is sourced from PubChem (CID 132647845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).