azane;2-(cyanomethylamino)acetonitrile;sulfuric acid

C4H10N4O4S — CID 174770143

IUPACazane;2-(cyanomethylamino)acetonitrile;sulfuric acid
SMILESN.N#CCNCC#N.O=S(=O)(O)O
InChIInChI=1S/C4H5N3.H3N.H2O4S/c5-1-3-7-4-2-6;;1-5(2,3)4/h7H,3-4H2;1H3;(H2,1,2,3,4)
InChIKeyLQIWHVZKPFRSIS-UHFFFAOYSA-N
MW210.21 g/mol
LogP-0.87
Rot. Bonds2

About azane;2-(cyanomethylamino)acetonitrile;sulfuric acid

azane;2-(cyanomethylamino)acetonitrile;sulfuric acid (PubChem CID 174770143) has the molecular formula C4H10N4O4S and a molecular weight of 210.21 g/mol. Its IUPAC name is azane;2-(cyanomethylamino)acetonitrile;sulfuric acid.

Molecular Properties

Compound Nameazane;2-(cyanomethylamino)acetonitrile;sulfuric acid
PubChem CID174770143
Molecular FormulaC4H10N4O4S
Molecular Weight210.21 g/mol
Exact Mass210.04
IUPAC Nameazane;2-(cyanomethylamino)acetonitrile;sulfuric acid
SMILESN.N#CCNCC#N.O=S(=O)(O)O
InChIInChI=1S/C4H5N3.H3N.H2O4S/c5-1-3-7-4-2-6;;1-5(2,3)4/h7H,3-4H2;1H3;(H2,1,2,3,4)
InChIKeyLQIWHVZKPFRSIS-UHFFFAOYSA-N
XLogP-0.87
TPSA169.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(dodecylamino)acetonitrile;sulfuric acid
CID 172697607
bis(acetonitrile);sulfuric acid
CID 174658291
azane;methanesulfonic acid;hydrate
CID 141152760
azane;methanol;sulfuric acid;hydrate
CID 174924142
bis(scandium);sulfuric acid;octahydrate
CID 86222721
azane;sulfuric acid;hexahydrate
CID 173404062
oxalonitrile;sulfane;sulfuric acid
CID 174830241
azane;nickel;sulfuric acid;hexahydrate
CID 131859332
methanesulfonic acid;hydrate
CID 87278985
azane;sulfuric acid
CID 173165368
sulfuric acid;tridecahydrate
CID 71366893
ethanol;sulfuric acid;hydrate
CID 86634241

Frequently Asked Questions

What is the IUPAC name of azane;2-(cyanomethylamino)acetonitrile;sulfuric acid?
The IUPAC name of azane;2-(cyanomethylamino)acetonitrile;sulfuric acid (CID 174770143) is azane;2-(cyanomethylamino)acetonitrile;sulfuric acid.
What is the SMILES notation for azane;2-(cyanomethylamino)acetonitrile;sulfuric acid?
The canonical SMILES for azane;2-(cyanomethylamino)acetonitrile;sulfuric acid is N.N#CCNCC#N.O=S(=O)(O)O.
What is the InChIKey of azane;2-(cyanomethylamino)acetonitrile;sulfuric acid?
The InChIKey is LQIWHVZKPFRSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3.H3N.H2O4S/c5-1-3-7-4-2-6;;1-5(2,3)4/h7H,3-4H2;1H3;(H2,1,2,3,4).
What are the key properties of azane;2-(cyanomethylamino)acetonitrile;sulfuric acid?
azane;2-(cyanomethylamino)acetonitrile;sulfuric acid has a molecular weight of 210.21 g/mol, XLogP of -0.87, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(cyanomethylamino)acetonitrile;sulfuric acid is sourced from PubChem (CID 174770143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).