sodium;3,5-dinitro-1H-1,2,4-triazole;hydride

C2H2N5NaO4 — CID 173200248

IUPACsodium;3,5-dinitro-1H-1,2,4-triazole;hydride
SMILESO=[N+]([O-])c1n[nH]c([N+](=O)[O-])n1.[H-].[Na+]
InChIInChI=1S/C2HN5O4.Na.H/c8-6(9)1-3-2(5-4-1)7(10)11;;/h(H,3,4,5);;/q;+1;-1
InChIKeySPJJOTWSLSAZCM-UHFFFAOYSA-N
MW183.06 g/mol
LogP-3.26
Rot. Bonds2

About sodium;3,5-dinitro-1H-1,2,4-triazole;hydride

sodium;3,5-dinitro-1H-1,2,4-triazole;hydride (PubChem CID 173200248) has the molecular formula C2H2N5NaO4 and a molecular weight of 183.06 g/mol. Its IUPAC name is sodium;3,5-dinitro-1H-1,2,4-triazole;hydride.

Molecular Properties

Compound Namesodium;3,5-dinitro-1H-1,2,4-triazole;hydride
PubChem CID173200248
Molecular FormulaC2H2N5NaO4
Molecular Weight183.06 g/mol
Exact Mass183.00
IUPAC Namesodium;3,5-dinitro-1H-1,2,4-triazole;hydride
SMILESO=[N+]([O-])c1n[nH]c([N+](=O)[O-])n1.[H-].[Na+]
InChIInChI=1S/C2HN5O4.Na.H/c8-6(9)1-3-2(5-4-1)7(10)11;;/h(H,3,4,5);;/q;+1;-1
InChIKeySPJJOTWSLSAZCM-UHFFFAOYSA-N
XLogP-3.26
TPSA127.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.06
LogP ≤ 5-3.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

(E)-bis(5-nitro-1H-1,2,4-triazol-3-yl)diazene
CID 177464039
sodium;hydride;5-nitro-2H-tetrazole
CID 173097476
3-(4,5-dinitro-1H-pyrazol-3-yl)-5-nitro-1H-1,2,4-triazole
CID 136798500
2-(5-nitro-1H-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine
CID 71946338
5-nitro-2H-tetrazole;hydroiodide
CID 159499881
N-(5-nitro-1H-1,2,4-triazol-3-yl)-1,2,4-triazin-3-amine
CID 135448368
3-benzylsulfonyl-5-nitro-1H-1,2,4-triazole
CID 137172466
3-(1-azidopropyl)-5-nitro-1H-1,2,4-triazole
CID 137128078
(3,5-dinitro-1H-pyrazol-4-yl) nitrate
CID 141398789
N-(benzylideneamino)-5-nitro-1H-1,2,4-triazole-3-carboxamide
CID 135414804
nitro-[3-(5-nitroazanidyl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-5-yl]azanide
CID 139114667
CID 173388240
CID 173388240

Frequently Asked Questions

What is the IUPAC name of sodium;3,5-dinitro-1H-1,2,4-triazole;hydride?
The IUPAC name of sodium;3,5-dinitro-1H-1,2,4-triazole;hydride (CID 173200248) is sodium;3,5-dinitro-1H-1,2,4-triazole;hydride.
What is the SMILES notation for sodium;3,5-dinitro-1H-1,2,4-triazole;hydride?
The canonical SMILES for sodium;3,5-dinitro-1H-1,2,4-triazole;hydride is O=[N+]([O-])c1n[nH]c([N+](=O)[O-])n1.[H-].[Na+].
What is the InChIKey of sodium;3,5-dinitro-1H-1,2,4-triazole;hydride?
The InChIKey is SPJJOTWSLSAZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HN5O4.Na.H/c8-6(9)1-3-2(5-4-1)7(10)11;;/h(H,3,4,5);;/q;+1;-1.
What are the key properties of sodium;3,5-dinitro-1H-1,2,4-triazole;hydride?
sodium;3,5-dinitro-1H-1,2,4-triazole;hydride has a molecular weight of 183.06 g/mol, XLogP of -3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,5-dinitro-1H-1,2,4-triazole;hydride is sourced from PubChem (CID 173200248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).