imidazol-1-amine;sulfuric acid

C3H7N3O4S — CID 69374932

IUPACimidazol-1-amine;sulfuric acid
SMILESNn1ccnc1.O=S(=O)(O)O
InChIInChI=1S/C3H5N3.H2O4S/c4-6-2-1-5-3-6;1-5(2,3)4/h1-3H,4H2;(H2,1,2,3,4)
InChIKeyAKPLCZWGPJTVHD-UHFFFAOYSA-N
MW181.17 g/mol
LogP-1.06
Rot. Bonds

About imidazol-1-amine;sulfuric acid

imidazol-1-amine;sulfuric acid (PubChem CID 69374932) has the molecular formula C3H7N3O4S and a molecular weight of 181.17 g/mol. Its IUPAC name is imidazol-1-amine;sulfuric acid.

Molecular Properties

Compound Nameimidazol-1-amine;sulfuric acid
PubChem CID69374932
Molecular FormulaC3H7N3O4S
Molecular Weight181.17 g/mol
Exact Mass181.02
IUPAC Nameimidazol-1-amine;sulfuric acid
SMILESNn1ccnc1.O=S(=O)(O)O
InChIInChI=1S/C3H5N3.H2O4S/c4-6-2-1-5-3-6;1-5(2,3)4/h1-3H,4H2;(H2,1,2,3,4)
InChIKeyAKPLCZWGPJTVHD-UHFFFAOYSA-N
XLogP-1.06
TPSA118.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

imidazol-1-amine;2,4,6-trimethylbenzenesulfonic acid
CID 119056925
imidazol-1-amine;pyridine
CID 174409893
sodium;hydride;imidazole-1-sulfonic acid
CID 174835950
bis(1-propylimidazole);sulfuric acid
CID 86038795
4-imidazol-1-ylbutane-1-sulfonic acid;sulfuric acid
CID 175825454
bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid)
CID 171932409
1,1-difluoro-2-(2-imidazol-1-yl-2-oxoethoxy)-2-oxoethanesulfonic acid
CID 58400478
3-imidazol-1-ylpropan-1-amine;trifluoromethanesulfonic acid
CID 174802569
1-imidazol-1-yl-3-oxopropane-1-sulfonic acid
CID 174330526
1-methylimidazole;2-methylprop-2-ene-1-sulfonic acid
CID 173379549
butane-1-sulfonic acid;bis(1-methylimidazole);hydrochloride
CID 175343475
1,6-di(imidazol-1-yl)hexane-1,6-dione
CID 14413796

Frequently Asked Questions

What is the IUPAC name of imidazol-1-amine;sulfuric acid?
The IUPAC name of imidazol-1-amine;sulfuric acid (CID 69374932) is imidazol-1-amine;sulfuric acid.
What is the SMILES notation for imidazol-1-amine;sulfuric acid?
The canonical SMILES for imidazol-1-amine;sulfuric acid is Nn1ccnc1.O=S(=O)(O)O.
What is the InChIKey of imidazol-1-amine;sulfuric acid?
The InChIKey is AKPLCZWGPJTVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3.H2O4S/c4-6-2-1-5-3-6;1-5(2,3)4/h1-3H,4H2;(H2,1,2,3,4).
What are the key properties of imidazol-1-amine;sulfuric acid?
imidazol-1-amine;sulfuric acid has a molecular weight of 181.17 g/mol, XLogP of -1.06, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-amine;sulfuric acid is sourced from PubChem (CID 69374932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).