bis(1H-imidazol-5-amine);sulfuric acid

C6H12N6O4S — CID 159489796

IUPACbis(1H-imidazol-5-amine);sulfuric acid
SMILESNc1cnc[nH]1.Nc1cnc[nH]1.O=S(=O)(O)O
InChIInChI=1S/2C3H5N3.H2O4S/c2*4-3-1-5-2-6-3;1-5(2,3)4/h2*1-2H,4H2,(H,5,6);(H2,1,2,3,4)
InChIKeyHTDICIQKTHKBID-UHFFFAOYSA-N
MW264.27 g/mol
LogP-0.67
Rot. Bonds

About bis(1H-imidazol-5-amine);sulfuric acid

bis(1H-imidazol-5-amine);sulfuric acid (PubChem CID 159489796) has the molecular formula C6H12N6O4S and a molecular weight of 264.27 g/mol. Its IUPAC name is bis(1H-imidazol-5-amine);sulfuric acid.

Molecular Properties

Compound Namebis(1H-imidazol-5-amine);sulfuric acid
PubChem CID159489796
Molecular FormulaC6H12N6O4S
Molecular Weight264.27 g/mol
Exact Mass264.06
IUPAC Namebis(1H-imidazol-5-amine);sulfuric acid
SMILESNc1cnc[nH]1.Nc1cnc[nH]1.O=S(=O)(O)O
InChIInChI=1S/2C3H5N3.H2O4S/c2*4-3-1-5-2-6-3;1-5(2,3)4/h2*1-2H,4H2,(H,5,6);(H2,1,2,3,4)
InChIKeyHTDICIQKTHKBID-UHFFFAOYSA-N
XLogP-0.67
TPSA184.00 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 56
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 bis(1H-imidazol-5-amine);sulfuric acid?
The IUPAC name of bis(1H-imidazol-5-amine);sulfuric acid (CID 159489796) is bis(1H-imidazol-5-amine);sulfuric acid.
What is the SMILES notation for bis(1H-imidazol-5-amine);sulfuric acid?
The canonical SMILES for bis(1H-imidazol-5-amine);sulfuric acid is Nc1cnc[nH]1.Nc1cnc[nH]1.O=S(=O)(O)O.
What is the InChIKey of bis(1H-imidazol-5-amine);sulfuric acid?
The InChIKey is HTDICIQKTHKBID-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H5N3.H2O4S/c2*4-3-1-5-2-6-3;1-5(2,3)4/h2*1-2H,4H2,(H,5,6);(H2,1,2,3,4).
What are the key properties of bis(1H-imidazol-5-amine);sulfuric acid?
bis(1H-imidazol-5-amine);sulfuric acid has a molecular weight of 264.27 g/mol, XLogP of -0.67, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazol-5-amine);sulfuric acid is sourced from PubChem (CID 159489796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).