sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine

C6H16N4O8S2 — CID 67825980

IUPACsulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine
SMILESCN(C)c1c(N)cnn1C.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C6H12N4.2H2O4S/c1-9(2)6-5(7)4-8-10(6)3;2*1-5(2,3)4/h4H,7H2,1-3H3;2*(H2,1,2,3,4)
InChIKeyVYTKUVQUFFKERG-UHFFFAOYSA-N
MW336.35 g/mol
LogP-1.24
Rot. Bonds1

About sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine

sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine (PubChem CID 67825980) has the molecular formula C6H16N4O8S2 and a molecular weight of 336.35 g/mol. Its IUPAC name is sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Namesulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine
PubChem CID67825980
Molecular FormulaC6H16N4O8S2
Molecular Weight336.35 g/mol
Exact Mass336.04
IUPAC Namesulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine
SMILESCN(C)c1c(N)cnn1C.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C6H12N4.2H2O4S/c1-9(2)6-5(7)4-8-10(6)3;2*1-5(2,3)4/h4H,7H2,1-3H3;2*(H2,1,2,3,4)
InChIKeyVYTKUVQUFFKERG-UHFFFAOYSA-N
XLogP-1.24
TPSA196.28 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-1.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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 sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine?
The IUPAC name of sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine (CID 67825980) is sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine.
What is the SMILES notation for sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine?
The canonical SMILES for sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine is CN(C)c1c(N)cnn1C.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine?
The InChIKey is VYTKUVQUFFKERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.2H2O4S/c1-9(2)6-5(7)4-8-10(6)3;2*1-5(2,3)4/h4H,7H2,1-3H3;2*(H2,1,2,3,4).
What are the key properties of sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine?
sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine has a molecular weight of 336.35 g/mol, XLogP of -1.24, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine is sourced from PubChem (CID 67825980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).