pyrazole-1,3-diamine;sulfuric acid

C3H8N4O4S — CID 18982171

IUPACpyrazole-1,3-diamine;sulfuric acid
SMILESNc1ccn(N)n1.O=S(=O)(O)O
InChIInChI=1S/C3H6N4.H2O4S/c4-3-1-2-7(5)6-3;1-5(2,3)4/h1-2H,5H2,(H2,4,6);(H2,1,2,3,4)
InChIKeyJKAZRMFJVNALMO-UHFFFAOYSA-N
MW196.19 g/mol
LogP-1.47
Rot. Bonds

About pyrazole-1,3-diamine;sulfuric acid

pyrazole-1,3-diamine;sulfuric acid (PubChem CID 18982171) has the molecular formula C3H8N4O4S and a molecular weight of 196.19 g/mol. Its IUPAC name is pyrazole-1,3-diamine;sulfuric acid.

Molecular Properties

Compound Namepyrazole-1,3-diamine;sulfuric acid
PubChem CID18982171
Molecular FormulaC3H8N4O4S
Molecular Weight196.19 g/mol
Exact Mass196.03
IUPAC Namepyrazole-1,3-diamine;sulfuric acid
SMILESNc1ccn(N)n1.O=S(=O)(O)O
InChIInChI=1S/C3H6N4.H2O4S/c4-3-1-2-7(5)6-3;1-5(2,3)4/h1-2H,5H2,(H2,4,6);(H2,1,2,3,4)
InChIKeyJKAZRMFJVNALMO-UHFFFAOYSA-N
XLogP-1.47
TPSA144.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
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 pyrazole-1,3-diamine;sulfuric acid?
The IUPAC name of pyrazole-1,3-diamine;sulfuric acid (CID 18982171) is pyrazole-1,3-diamine;sulfuric acid.
What is the SMILES notation for pyrazole-1,3-diamine;sulfuric acid?
The canonical SMILES for pyrazole-1,3-diamine;sulfuric acid is Nc1ccn(N)n1.O=S(=O)(O)O.
What is the InChIKey of pyrazole-1,3-diamine;sulfuric acid?
The InChIKey is JKAZRMFJVNALMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.H2O4S/c4-3-1-2-7(5)6-3;1-5(2,3)4/h1-2H,5H2,(H2,4,6);(H2,1,2,3,4).
What are the key properties of pyrazole-1,3-diamine;sulfuric acid?
pyrazole-1,3-diamine;sulfuric acid has a molecular weight of 196.19 g/mol, XLogP of -1.47, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazole-1,3-diamine;sulfuric acid is sourced from PubChem (CID 18982171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).