1,2,4,5-tetradeuterioimidazole

C3H4N2 — CID 11701027

IUPAC1,2,4,5-tetradeuterioimidazole
SMILES[2H]c1nc([2H])n([2H])c1[2H]
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/i1D,2D,3D/hD
InChIKeyRAXXELZNTBOGNW-MSWVZFBTSA-N
MW72.10 g/mol
LogP0.41
Rot. Bonds

About 1,2,4,5-tetradeuterioimidazole

1,2,4,5-tetradeuterioimidazole (PubChem CID 11701027) has the molecular formula C3H4N2 and a molecular weight of 72.10 g/mol. Its IUPAC name is 1,2,4,5-tetradeuterioimidazole.

Molecular Properties

Compound Name1,2,4,5-tetradeuterioimidazole
PubChem CID11701027
Molecular FormulaC3H4N2
Molecular Weight72.10 g/mol
Exact Mass72.06
IUPAC Name1,2,4,5-tetradeuterioimidazole
SMILES[2H]c1nc([2H])n([2H])c1[2H]
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/i1D,2D,3D/hD
InChIKeyRAXXELZNTBOGNW-MSWVZFBTSA-N
XLogP0.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.10
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetradeuterioimidazole?
The IUPAC name of 1,2,4,5-tetradeuterioimidazole (CID 11701027) is 1,2,4,5-tetradeuterioimidazole.
What is the SMILES notation for 1,2,4,5-tetradeuterioimidazole?
The canonical SMILES for 1,2,4,5-tetradeuterioimidazole is [2H]c1nc([2H])n([2H])c1[2H].
What is the InChIKey of 1,2,4,5-tetradeuterioimidazole?
The InChIKey is RAXXELZNTBOGNW-MSWVZFBTSA-N. The full InChI is InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/i1D,2D,3D/hD.
What are the key properties of 1,2,4,5-tetradeuterioimidazole?
1,2,4,5-tetradeuterioimidazole has a molecular weight of 72.10 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetradeuterioimidazole is sourced from PubChem (CID 11701027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).