2-amino-1-methylimidazol-4-ol;sulfuric acid

C4H9N3O5S — CID 66601820

IUPAC2-amino-1-methylimidazol-4-ol;sulfuric acid
SMILESCn1cc(O)nc1N.O=S(=O)(O)O
InChIInChI=1S/C4H7N3O.H2O4S/c1-7-2-3(8)6-4(7)5;1-5(2,3)4/h2,8H,1H3,(H2,5,6);(H2,1,2,3,4)
InChIKeyLJVKCJLBDLTAGZ-UHFFFAOYSA-N
MW211.20 g/mol
LogP-0.94
Rot. Bonds

About 2-amino-1-methylimidazol-4-ol;sulfuric acid

2-amino-1-methylimidazol-4-ol;sulfuric acid (PubChem CID 66601820) has the molecular formula C4H9N3O5S and a molecular weight of 211.20 g/mol. Its IUPAC name is 2-amino-1-methylimidazol-4-ol;sulfuric acid.

Molecular Properties

Compound Name2-amino-1-methylimidazol-4-ol;sulfuric acid
PubChem CID66601820
Molecular FormulaC4H9N3O5S
Molecular Weight211.20 g/mol
Exact Mass211.03
IUPAC Name2-amino-1-methylimidazol-4-ol;sulfuric acid
SMILESCn1cc(O)nc1N.O=S(=O)(O)O
InChIInChI=1S/C4H7N3O.H2O4S/c1-7-2-3(8)6-4(7)5;1-5(2,3)4/h2,8H,1H3,(H2,5,6);(H2,1,2,3,4)
InChIKeyLJVKCJLBDLTAGZ-UHFFFAOYSA-N
XLogP-0.94
TPSA138.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methylimidazol-4-ol;sulfuric acid?
The IUPAC name of 2-amino-1-methylimidazol-4-ol;sulfuric acid (CID 66601820) is 2-amino-1-methylimidazol-4-ol;sulfuric acid.
What is the SMILES notation for 2-amino-1-methylimidazol-4-ol;sulfuric acid?
The canonical SMILES for 2-amino-1-methylimidazol-4-ol;sulfuric acid is Cn1cc(O)nc1N.O=S(=O)(O)O.
What is the InChIKey of 2-amino-1-methylimidazol-4-ol;sulfuric acid?
The InChIKey is LJVKCJLBDLTAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.H2O4S/c1-7-2-3(8)6-4(7)5;1-5(2,3)4/h2,8H,1H3,(H2,5,6);(H2,1,2,3,4).
What are the key properties of 2-amino-1-methylimidazol-4-ol;sulfuric acid?
2-amino-1-methylimidazol-4-ol;sulfuric acid has a molecular weight of 211.20 g/mol, XLogP of -0.94, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methylimidazol-4-ol;sulfuric acid is sourced from PubChem (CID 66601820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).