2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid

C8H8N4O4S — CID 138619821

IUPAC2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid
SMILESN#Cc1ccc(C#N)c(NN)c1.O=S(=O)(O)O
InChIInChI=1S/C8H6N4.H2O4S/c9-4-6-1-2-7(5-10)8(3-6)12-11;1-5(2,3)4/h1-3,12H,11H2;(H2,1,2,3,4)
InChIKeyZYMAEOOPVSSHSY-UHFFFAOYSA-N
MW256.24 g/mol
LogP0.06
Rot. Bonds1

About 2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid

2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid (PubChem CID 138619821) has the molecular formula C8H8N4O4S and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid.

Molecular Properties

Compound Name2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid
PubChem CID138619821
Molecular FormulaC8H8N4O4S
Molecular Weight256.24 g/mol
Exact Mass256.03
IUPAC Name2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid
SMILESN#Cc1ccc(C#N)c(NN)c1.O=S(=O)(O)O
InChIInChI=1S/C8H6N4.H2O4S/c9-4-6-1-2-7(5-10)8(3-6)12-11;1-5(2,3)4/h1-3,12H,11H2;(H2,1,2,3,4)
InChIKeyZYMAEOOPVSSHSY-UHFFFAOYSA-N
XLogP0.06
TPSA160.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid?
The IUPAC name of 2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid (CID 138619821) is 2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid.
What is the SMILES notation for 2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid?
The canonical SMILES for 2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid is N#Cc1ccc(C#N)c(NN)c1.O=S(=O)(O)O.
What is the InChIKey of 2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid?
The InChIKey is ZYMAEOOPVSSHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4.H2O4S/c9-4-6-1-2-7(5-10)8(3-6)12-11;1-5(2,3)4/h1-3,12H,11H2;(H2,1,2,3,4).
What are the key properties of 2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid?
2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid has a molecular weight of 256.24 g/mol, XLogP of 0.06, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid is sourced from PubChem (CID 138619821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).