iron;2-(2H-tetrazol-5-yl)acetic acid;zinc

C3H3FeN4O2Zn- — CID 175223255

IUPACiron;2-(2H-tetrazol-5-yl)acetic acid;zinc
SMILESO=C(O)[CH-]c1nn[nH]n1.[Fe].[Zn]
InChIInChI=1S/C3H3N4O2.Fe.Zn/c8-3(9)1-2-4-6-7-5-2;;/h1H,(H,8,9)(H,4,5,6,7);;/q-1;;
InChIKeyIHAKGIIHOYZCTL-UHFFFAOYSA-N
MW248.32 g/mol
LogP-1.17
Rot. Bonds2

About iron;2-(2H-tetrazol-5-yl)acetic acid;zinc

iron;2-(2H-tetrazol-5-yl)acetic acid;zinc (PubChem CID 175223255) has the molecular formula C3H3FeN4O2Zn- and a molecular weight of 248.32 g/mol. Its IUPAC name is iron;2-(2H-tetrazol-5-yl)acetic acid;zinc.

Molecular Properties

Compound Nameiron;2-(2H-tetrazol-5-yl)acetic acid;zinc
PubChem CID175223255
Molecular FormulaC3H3FeN4O2Zn-
Molecular Weight248.32 g/mol
Exact Mass246.89
IUPAC Nameiron;2-(2H-tetrazol-5-yl)acetic acid;zinc
SMILESO=C(O)[CH-]c1nn[nH]n1.[Fe].[Zn]
InChIInChI=1S/C3H3N4O2.Fe.Zn/c8-3(9)1-2-4-6-7-5-2;;/h1H,(H,8,9)(H,4,5,6,7);;/q-1;;
InChIKeyIHAKGIIHOYZCTL-UHFFFAOYSA-N
XLogP-1.17
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

iron;2-(2H-tetrazol-5-yl)acetic acid;zinc
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3-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of iron;2-(2H-tetrazol-5-yl)acetic acid;zinc?
The IUPAC name of iron;2-(2H-tetrazol-5-yl)acetic acid;zinc (CID 175223255) is iron;2-(2H-tetrazol-5-yl)acetic acid;zinc.
What is the SMILES notation for iron;2-(2H-tetrazol-5-yl)acetic acid;zinc?
The canonical SMILES for iron;2-(2H-tetrazol-5-yl)acetic acid;zinc is O=C(O)[CH-]c1nn[nH]n1.[Fe].[Zn].
What is the InChIKey of iron;2-(2H-tetrazol-5-yl)acetic acid;zinc?
The InChIKey is IHAKGIIHOYZCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N4O2.Fe.Zn/c8-3(9)1-2-4-6-7-5-2;;/h1H,(H,8,9)(H,4,5,6,7);;/q-1;;.
What are the key properties of iron;2-(2H-tetrazol-5-yl)acetic acid;zinc?
iron;2-(2H-tetrazol-5-yl)acetic acid;zinc has a molecular weight of 248.32 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron;2-(2H-tetrazol-5-yl)acetic acid;zinc is sourced from PubChem (CID 175223255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).