iron;1,2,4-triazol-4-amine;nitrate

C2H4FeN5O3- — CID 89373178

IUPACiron;1,2,4-triazol-4-amine;nitrate
SMILESNn1cnnc1.O=[N+]([O-])[O-].[Fe]
InChIInChI=1S/C2H4N4.Fe.NO3/c3-6-1-4-5-2-6;;2-1(3)4/h1-2H,3H2;;/q;;-1
InChIKeyIGAQBIAFIYGEQB-UHFFFAOYSA-N
MW201.93 g/mol
LogP-1.25
Rot. Bonds

About iron;1,2,4-triazol-4-amine;nitrate

iron;1,2,4-triazol-4-amine;nitrate (PubChem CID 89373178) has the molecular formula C2H4FeN5O3- and a molecular weight of 201.93 g/mol. Its IUPAC name is iron;1,2,4-triazol-4-amine;nitrate.

Molecular Properties

Compound Nameiron;1,2,4-triazol-4-amine;nitrate
PubChem CID89373178
Molecular FormulaC2H4FeN5O3-
Molecular Weight201.93 g/mol
Exact Mass201.97
IUPAC Nameiron;1,2,4-triazol-4-amine;nitrate
SMILESNn1cnnc1.O=[N+]([O-])[O-].[Fe]
InChIInChI=1S/C2H4N4.Fe.NO3/c3-6-1-4-5-2-6;;2-1(3)4/h1-2H,3H2;;/q;;-1
InChIKeyIGAQBIAFIYGEQB-UHFFFAOYSA-N
XLogP-1.25
TPSA122.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.93
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
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

1,2,4-triazol-4-amine
CID 157209036
Ammonium calcium nitrate
CID 57348786
hydrazine;nickel(2+);dinitrate
CID 159398575
1-amino-3-nitropyrazole-4-carbonitrile
CID 14952778
palladium(2+) nitrate
CID 15793330
europium(3+) trinitrate
CID 24983
ruthenium(3+) nitrate
CID 21124620
technetium(7+) heptanitrate
CID 23031034
niobium(3+) trinitrate
CID 14693735
platinum pentanitrate
CID 173027999
aluminum trinitrate
CID 26053
tetrakis(lanthanum(3+));trinitrate
CID 19804472

Frequently Asked Questions

What is the IUPAC name of iron;1,2,4-triazol-4-amine;nitrate?
The IUPAC name of iron;1,2,4-triazol-4-amine;nitrate (CID 89373178) is iron;1,2,4-triazol-4-amine;nitrate.
What is the SMILES notation for iron;1,2,4-triazol-4-amine;nitrate?
The canonical SMILES for iron;1,2,4-triazol-4-amine;nitrate is Nn1cnnc1.O=[N+]([O-])[O-].[Fe].
What is the InChIKey of iron;1,2,4-triazol-4-amine;nitrate?
The InChIKey is IGAQBIAFIYGEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4.Fe.NO3/c3-6-1-4-5-2-6;;2-1(3)4/h1-2H,3H2;;/q;;-1.
What are the key properties of iron;1,2,4-triazol-4-amine;nitrate?
iron;1,2,4-triazol-4-amine;nitrate has a molecular weight of 201.93 g/mol, XLogP of -1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iron;1,2,4-triazol-4-amine;nitrate is sourced from PubChem (CID 89373178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).