1H-imidazole;palladium;hydrate

C3H6N2OPd — CID 175168790

IUPAC1H-imidazole;palladium;hydrate
SMILESO.[Pd].c1c[nH]cn1
InChIInChI=1S/C3H4N2.H2O.Pd/c1-2-5-3-4-1;;/h1-3H,(H,4,5);1H2;
InChIKeyUQTRVPNDGTZFNW-UHFFFAOYSA-N
MW192.51 g/mol
LogP-0.42
Rot. Bonds

About 1H-imidazole;palladium;hydrate

1H-imidazole;palladium;hydrate (PubChem CID 175168790) has the molecular formula C3H6N2OPd and a molecular weight of 192.51 g/mol. Its IUPAC name is 1H-imidazole;palladium;hydrate.

Molecular Properties

Compound Name1H-imidazole;palladium;hydrate
PubChem CID175168790
Molecular FormulaC3H6N2OPd
Molecular Weight192.51 g/mol
Exact Mass191.95
IUPAC Name1H-imidazole;palladium;hydrate
SMILESO.[Pd].c1c[nH]cn1
InChIInChI=1S/C3H4N2.H2O.Pd/c1-2-5-3-4-1;;/h1-3H,(H,4,5);1H2;
InChIKeyUQTRVPNDGTZFNW-UHFFFAOYSA-N
XLogP-0.42
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.51
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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potassium 1H-imidazole
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1H-imidazole;ruthenium(2+)
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CID 70626960
1H-imidazole;tetrahydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;palladium;hydrate?
The IUPAC name of 1H-imidazole;palladium;hydrate (CID 175168790) is 1H-imidazole;palladium;hydrate.
What is the SMILES notation for 1H-imidazole;palladium;hydrate?
The canonical SMILES for 1H-imidazole;palladium;hydrate is O.[Pd].c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;palladium;hydrate?
The InChIKey is UQTRVPNDGTZFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.H2O.Pd/c1-2-5-3-4-1;;/h1-3H,(H,4,5);1H2;.
What are the key properties of 1H-imidazole;palladium;hydrate?
1H-imidazole;palladium;hydrate has a molecular weight of 192.51 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;palladium;hydrate is sourced from PubChem (CID 175168790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).