1H-imidazole;oxozinc

C3H4N2OZn — CID 67355712

IUPAC1H-imidazole;oxozinc
SMILESO=[Zn].c1c[nH]cn1
InChIInChI=1S/C3H4N2.O.Zn/c1-2-5-3-4-1;;/h1-3H,(H,4,5);;
InChIKeyASJJEKSXFQURFB-UHFFFAOYSA-N
MW149.47 g/mol
LogP0.29
Rot. Bonds

About 1H-imidazole;oxozinc

1H-imidazole;oxozinc (PubChem CID 67355712) has the molecular formula C3H4N2OZn and a molecular weight of 149.47 g/mol. Its IUPAC name is 1H-imidazole;oxozinc.

Molecular Properties

Compound Name1H-imidazole;oxozinc
PubChem CID67355712
Molecular FormulaC3H4N2OZn
Molecular Weight149.47 g/mol
Exact Mass147.96
IUPAC Name1H-imidazole;oxozinc
SMILESO=[Zn].c1c[nH]cn1
InChIInChI=1S/C3H4N2.O.Zn/c1-2-5-3-4-1;;/h1-3H,(H,4,5);;
InChIKeyASJJEKSXFQURFB-UHFFFAOYSA-N
XLogP0.29
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.47
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;oxozinc?
The IUPAC name of 1H-imidazole;oxozinc (CID 67355712) is 1H-imidazole;oxozinc.
What is the SMILES notation for 1H-imidazole;oxozinc?
The canonical SMILES for 1H-imidazole;oxozinc is O=[Zn].c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;oxozinc?
The InChIKey is ASJJEKSXFQURFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.O.Zn/c1-2-5-3-4-1;;/h1-3H,(H,4,5);;.
What are the key properties of 1H-imidazole;oxozinc?
1H-imidazole;oxozinc has a molecular weight of 149.47 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;oxozinc is sourced from PubChem (CID 67355712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).