4,5-dihydro-1H-imidazole;methanamine;sulfuric acid

C4H13N3O4S — CID 174760437

IUPAC4,5-dihydro-1H-imidazole;methanamine;sulfuric acid
SMILESC1=NCCN1.CN.O=S(=O)(O)O
InChIInChI=1S/C3H6N2.CH5N.H2O4S/c1-2-5-3-4-1;1-2;1-5(2,3)4/h3H,1-2H2,(H,4,5);2H2,1H3;(H2,1,2,3,4)
InChIKeyJVXHHWLXLIIMNR-UHFFFAOYSA-N
MW199.23 g/mol
LogP-1.46
Rot. Bonds

About 4,5-dihydro-1H-imidazole;methanamine;sulfuric acid

4,5-dihydro-1H-imidazole;methanamine;sulfuric acid (PubChem CID 174760437) has the molecular formula C4H13N3O4S and a molecular weight of 199.23 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;methanamine;sulfuric acid.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;methanamine;sulfuric acid
PubChem CID174760437
Molecular FormulaC4H13N3O4S
Molecular Weight199.23 g/mol
Exact Mass199.06
IUPAC Name4,5-dihydro-1H-imidazole;methanamine;sulfuric acid
SMILESC1=NCCN1.CN.O=S(=O)(O)O
InChIInChI=1S/C3H6N2.CH5N.H2O4S/c1-2-5-3-4-1;1-2;1-5(2,3)4/h3H,1-2H2,(H,4,5);2H2,1H3;(H2,1,2,3,4)
InChIKeyJVXHHWLXLIIMNR-UHFFFAOYSA-N
XLogP-1.46
TPSA125.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 4,5-dihydro-1H-imidazole;methanamine;sulfuric acid?
The IUPAC name of 4,5-dihydro-1H-imidazole;methanamine;sulfuric acid (CID 174760437) is 4,5-dihydro-1H-imidazole;methanamine;sulfuric acid.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;methanamine;sulfuric acid?
The canonical SMILES for 4,5-dihydro-1H-imidazole;methanamine;sulfuric acid is C1=NCCN1.CN.O=S(=O)(O)O.
What is the InChIKey of 4,5-dihydro-1H-imidazole;methanamine;sulfuric acid?
The InChIKey is JVXHHWLXLIIMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.CH5N.H2O4S/c1-2-5-3-4-1;1-2;1-5(2,3)4/h3H,1-2H2,(H,4,5);2H2,1H3;(H2,1,2,3,4).
What are the key properties of 4,5-dihydro-1H-imidazole;methanamine;sulfuric acid?
4,5-dihydro-1H-imidazole;methanamine;sulfuric acid has a molecular weight of 199.23 g/mol, XLogP of -1.46, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;methanamine;sulfuric acid is sourced from PubChem (CID 174760437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).