aminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate

C4H8N10O2 — CID 139167849

IUPACaminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate
SMILESN[NH3+].O=c1[nH]ncn1/N=N/n1cnnc1[O-]
InChIInChI=1S/C4H4N8O2.H4N2/c13-3-7-5-1-11(3)9-10-12-2-6-8-4(12)14;1-2/h1-2H,(H,7,13)(H,8,14);1-2H2/b10-9+;
InChIKeyQBTNALDKMLTDJB-RRABGKBLSA-N
MW228.18 g/mol
LogP-3.98
Rot. Bonds2

About aminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate

aminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate (PubChem CID 139167849) has the molecular formula C4H8N10O2 and a molecular weight of 228.18 g/mol. Its IUPAC name is aminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate.

Molecular Properties

Compound Nameaminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate
PubChem CID139167849
Molecular FormulaC4H8N10O2
Molecular Weight228.18 g/mol
Exact Mass228.08
IUPAC Nameaminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate
SMILESN[NH3+].O=c1[nH]ncn1/N=N/n1cnnc1[O-]
InChIInChI=1S/C4H4N8O2.H4N2/c13-3-7-5-1-11(3)9-10-12-2-6-8-4(12)14;1-2/h1-2H,(H,7,13)(H,8,14);1-2H2/b10-9+;
InChIKeyQBTNALDKMLTDJB-RRABGKBLSA-N
XLogP-3.98
TPSA182.83 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 5-3.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate?
The IUPAC name of aminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate (CID 139167849) is aminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate.
What is the SMILES notation for aminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate?
The canonical SMILES for aminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate is N[NH3+].O=c1[nH]ncn1/N=N/n1cnnc1[O-].
What is the InChIKey of aminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate?
The InChIKey is QBTNALDKMLTDJB-RRABGKBLSA-N. The full InChI is InChI=1S/C4H4N8O2.H4N2/c13-3-7-5-1-11(3)9-10-12-2-6-8-4(12)14;1-2/h1-2H,(H,7,13)(H,8,14);1-2H2/b10-9+;.
What are the key properties of aminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate?
aminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate has a molecular weight of 228.18 g/mol, XLogP of -3.98, 2 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for aminoazanium;4-[(E)-(5-oxo-1H-1,2,4-triazol-4-yl)diazenyl]-1,2,4-triazol-3-olate is sourced from PubChem (CID 139167849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).