azanium;tin(4+);2,4,5-trinitro-1H-imidazole

C3H5N6O6Sn+5 — CID 175801703

IUPACazanium;tin(4+);2,4,5-trinitro-1H-imidazole
SMILESO=[N+]([O-])c1nc([N+](=O)[O-])c([N+](=O)[O-])[nH]1.[NH4+].[Sn+4]
InChIInChI=1S/C3HN5O6.H3N.Sn/c9-6(10)1-2(7(11)12)5-3(4-1)8(13)14;;/h(H,4,5);1H3;/q;;+4/p+1
InChIKeyYLCWGBHUWHGUAK-UHFFFAOYSA-O
MW339.82 g/mol
LogP0.13
Rot. Bonds3

About azanium;tin(4+);2,4,5-trinitro-1H-imidazole

azanium;tin(4+);2,4,5-trinitro-1H-imidazole (PubChem CID 175801703) has the molecular formula C3H5N6O6Sn+5 and a molecular weight of 339.82 g/mol. Its IUPAC name is azanium;tin(4+);2,4,5-trinitro-1H-imidazole.

Molecular Properties

Compound Nameazanium;tin(4+);2,4,5-trinitro-1H-imidazole
PubChem CID175801703
Molecular FormulaC3H5N6O6Sn+5
Molecular Weight339.82 g/mol
Exact Mass340.93
IUPAC Nameazanium;tin(4+);2,4,5-trinitro-1H-imidazole
SMILESO=[N+]([O-])c1nc([N+](=O)[O-])c([N+](=O)[O-])[nH]1.[NH4+].[Sn+4]
InChIInChI=1S/C3HN5O6.H3N.Sn/c9-6(10)1-2(7(11)12)5-3(4-1)8(13)14;;/h(H,4,5);1H3;/q;;+4/p+1
InChIKeyYLCWGBHUWHGUAK-UHFFFAOYSA-O
XLogP0.13
TPSA194.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2,4-dimethyl-5-nitro-1H-imidazole
CID 135554430
2-nitro-1H-imidazole-4,5-dicarbonitrile
CID 71623821
4-(3,5-dinitro-1H-pyrazol-4-yl)-3,5-dinitro-1H-pyrazole;hydrate
CID 139179043
2,4-dimethyl-5-nitro-1H-imidazole;hydrochloride
CID 137278553
2,4-dichloro-5-nitro-1H-imidazole
CID 135400176
2-methyl-5-nitro-1H-imidazole-4-thiol
CID 3628941
(3,5-dinitro-1H-pyrazol-4-yl) nitrate
CID 141398789
2-chloro-5-fluoro-4-nitro-1,3-thiazole
CID 139606637
3-(4,5-dinitro-1H-pyrazol-3-yl)-5-nitro-1H-1,2,4-triazole
CID 136798500
6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 10848460
3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine
CID 169463672
2-(4-methyl-5-nitro-1H-imidazol-2-yl)acetic acid
CID 137219104

Frequently Asked Questions

What is the IUPAC name of azanium;tin(4+);2,4,5-trinitro-1H-imidazole?
The IUPAC name of azanium;tin(4+);2,4,5-trinitro-1H-imidazole (CID 175801703) is azanium;tin(4+);2,4,5-trinitro-1H-imidazole.
What is the SMILES notation for azanium;tin(4+);2,4,5-trinitro-1H-imidazole?
The canonical SMILES for azanium;tin(4+);2,4,5-trinitro-1H-imidazole is O=[N+]([O-])c1nc([N+](=O)[O-])c([N+](=O)[O-])[nH]1.[NH4+].[Sn+4].
What is the InChIKey of azanium;tin(4+);2,4,5-trinitro-1H-imidazole?
The InChIKey is YLCWGBHUWHGUAK-UHFFFAOYSA-O. The full InChI is InChI=1S/C3HN5O6.H3N.Sn/c9-6(10)1-2(7(11)12)5-3(4-1)8(13)14;;/h(H,4,5);1H3;/q;;+4/p+1.
What are the key properties of azanium;tin(4+);2,4,5-trinitro-1H-imidazole?
azanium;tin(4+);2,4,5-trinitro-1H-imidazole has a molecular weight of 339.82 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;tin(4+);2,4,5-trinitro-1H-imidazole is sourced from PubChem (CID 175801703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).