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

C3H4FeN4O2Zn — CID 175714955

IUPACiron;2-(2H-tetrazol-5-yl)acetic acid;zinc
SMILESO=C(O)Cc1nn[nH]n1.[Fe].[Zn]
InChIInChI=1S/C3H4N4O2.Fe.Zn/c8-3(9)1-2-4-6-7-5-2;;/h1H2,(H,8,9)(H,4,5,6,7);;
InChIKeyRDSHQEWYBZYZOK-UHFFFAOYSA-N
MW249.33 g/mol
LogP-1.18
Rot. Bonds2

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

iron;2-(2H-tetrazol-5-yl)acetic acid;zinc (PubChem CID 175714955) has the molecular formula C3H4FeN4O2Zn and a molecular weight of 249.33 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 CID175714955
Molecular FormulaC3H4FeN4O2Zn
Molecular Weight249.33 g/mol
Exact Mass247.90
IUPAC Nameiron;2-(2H-tetrazol-5-yl)acetic acid;zinc
SMILESO=C(O)Cc1nn[nH]n1.[Fe].[Zn]
InChIInChI=1S/C3H4N4O2.Fe.Zn/c8-3(9)1-2-4-6-7-5-2;;/h1H2,(H,8,9)(H,4,5,6,7);;
InChIKeyRDSHQEWYBZYZOK-UHFFFAOYSA-N
XLogP-1.18
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydron;2-(2H-tetrazol-5-yl)acetic acid
CID 174732621
lanthanum;tris(2-(2H-tetrazol-5-yl)acetic acid)
CID 156633731
2-cyanoacetic acid;2-(2H-tetrazol-5-yl)acetic acid
CID 159042084
2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid
CID 110498043
ethane;1-(2H-tetrazol-5-yl)propan-2-one
CID 156809476
2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide
CID 22307052
1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one
CID 175092025
N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496403
3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid
CID 167810430
2H-tetrazol-5-ylmethyl carbamate
CID 175043654
1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone
CID 902451
iron;2-(2H-tetrazol-5-yl)acetic acid;zinc
CID 175223255

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 175714955) 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)Cc1nn[nH]n1.[Fe].[Zn].
What is the InChIKey of iron;2-(2H-tetrazol-5-yl)acetic acid;zinc?
The InChIKey is RDSHQEWYBZYZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O2.Fe.Zn/c8-3(9)1-2-4-6-7-5-2;;/h1H2,(H,8,9)(H,4,5,6,7);;.
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 249.33 g/mol, XLogP of -1.18, 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 175714955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).