5-methyl-4-(2-tritiooxyethyl)-1H-imidazole

C6H10N2O — CID 59099593

IUPAC5-methyl-4-(2-tritiooxyethyl)-1H-imidazole
SMILES[3H]OCCc1nc[nH]c1C
InChIInChI=1S/C6H10N2O/c1-5-6(2-3-9)8-4-7-5/h4,9H,2-3H2,1H3,(H,7,8)/i9T
InChIKeyASCUVHKNQDPJNA-FIRFLZKJSA-N
MW128.17 g/mol
LogP0.25
Rot. Bonds3

About 5-methyl-4-(2-tritiooxyethyl)-1H-imidazole

5-methyl-4-(2-tritiooxyethyl)-1H-imidazole (PubChem CID 59099593) has the molecular formula C6H10N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 5-methyl-4-(2-tritiooxyethyl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-4-(2-tritiooxyethyl)-1H-imidazole
PubChem CID59099593
Molecular FormulaC6H10N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name5-methyl-4-(2-tritiooxyethyl)-1H-imidazole
SMILES[3H]OCCc1nc[nH]c1C
InChIInChI=1S/C6H10N2O/c1-5-6(2-3-9)8-4-7-5/h4,9H,2-3H2,1H3,(H,7,8)/i9T
InChIKeyASCUVHKNQDPJNA-FIRFLZKJSA-N
XLogP0.25
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-tritiooxyethyl)-1H-imidazole?
The IUPAC name of 5-methyl-4-(2-tritiooxyethyl)-1H-imidazole (CID 59099593) is 5-methyl-4-(2-tritiooxyethyl)-1H-imidazole.
What is the SMILES notation for 5-methyl-4-(2-tritiooxyethyl)-1H-imidazole?
The canonical SMILES for 5-methyl-4-(2-tritiooxyethyl)-1H-imidazole is [3H]OCCc1nc[nH]c1C.
What is the InChIKey of 5-methyl-4-(2-tritiooxyethyl)-1H-imidazole?
The InChIKey is ASCUVHKNQDPJNA-FIRFLZKJSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-6(2-3-9)8-4-7-5/h4,9H,2-3H2,1H3,(H,7,8)/i9T.
What are the key properties of 5-methyl-4-(2-tritiooxyethyl)-1H-imidazole?
5-methyl-4-(2-tritiooxyethyl)-1H-imidazole has a molecular weight of 128.17 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-tritiooxyethyl)-1H-imidazole is sourced from PubChem (CID 59099593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).