iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate

CH3FeN6O4 — CID 161287015

IUPACiron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate
SMILESNc1nn[nH]n1.O=[N+]([O-])[O-].[Fe+3].[O-2]
InChIInChI=1S/CH3N5.Fe.NO3.O/c2-1-3-5-6-4-1;;2-1(3)4;/h(H3,2,3,4,5,6);;;/q;+3;-1;-2
InChIKeyVFVUUUJUZZVFQS-UHFFFAOYSA-N
MW218.92 g/mol
LogP-1.58
Rot. Bonds

About iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate

iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate (PubChem CID 161287015) has the molecular formula CH3FeN6O4 and a molecular weight of 218.92 g/mol. Its IUPAC name is iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate.

Molecular Properties

Compound Nameiron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate
PubChem CID161287015
Molecular FormulaCH3FeN6O4
Molecular Weight218.92 g/mol
Exact Mass218.96
IUPAC Nameiron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate
SMILESNc1nn[nH]n1.O=[N+]([O-])[O-].[Fe+3].[O-2]
InChIInChI=1S/CH3N5.Fe.NO3.O/c2-1-3-5-6-4-1;;2-1(3)4;/h(H3,2,3,4,5,6);;;/q;+3;-1;-2
InChIKeyVFVUUUJUZZVFQS-UHFFFAOYSA-N
XLogP-1.58
TPSA175.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.92
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

sodium;2H-tetrazol-5-amine;chloride
CID 174904004
sodium;hydride;2H-tetrazol-5-amine
CID 173196739
barium(2+);hydride;2H-tetrazol-5-amine
CID 173021575
hydrogen peroxide;2H-tetrazol-5-amine
CID 87704631
CID 174881615
CID 174881615
5-nitro-2H-tetrazole;hydroiodide
CID 159499881
sodium;hydride;5-nitro-2H-tetrazole
CID 173097476
CID 173309959
CID 173309959
magnesium;1,3,5-triazine-2,4,6-triamine;dinitrate
CID 174776136
5-[difluoro(nitro)methyl]-2H-tetrazole
CID 2827682
5-[chloro(dinitro)methyl]-2H-tetrazole
CID 91987213
N-nitro-2H-tetrazole-5-carboxamide
CID 170844684

Frequently Asked Questions

What is the IUPAC name of iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate?
The IUPAC name of iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate (CID 161287015) is iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate.
What is the SMILES notation for iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate?
The canonical SMILES for iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate is Nc1nn[nH]n1.O=[N+]([O-])[O-].[Fe+3].[O-2].
What is the InChIKey of iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate?
The InChIKey is VFVUUUJUZZVFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N5.Fe.NO3.O/c2-1-3-5-6-4-1;;2-1(3)4;/h(H3,2,3,4,5,6);;;/q;+3;-1;-2.
What are the key properties of iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate?
iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate has a molecular weight of 218.92 g/mol, XLogP of -1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate is sourced from PubChem (CID 161287015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).