hydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine

C4H10N4O4S — CID 173373687

IUPAChydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(N)n1.O=S(=O)([O-])O.[H+]
InChIInChI=1S/C4H8N4.H2O4S/c1-8-2-3(5)4(6)7-8;1-5(2,3)4/h2H,5H2,1H3,(H2,6,7);(H2,1,2,3,4)
InChIKeyIJFWMXWOUZSJKG-UHFFFAOYSA-N
MW210.22 g/mol
LogP-1.30
Rot. Bonds

About hydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine

hydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine (PubChem CID 173373687) has the molecular formula C4H10N4O4S and a molecular weight of 210.22 g/mol. Its IUPAC name is hydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Namehydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine
PubChem CID173373687
Molecular FormulaC4H10N4O4S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Namehydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(N)n1.O=S(=O)([O-])O.[H+]
InChIInChI=1S/C4H8N4.H2O4S/c1-8-2-3(5)4(6)7-8;1-5(2,3)4/h2H,5H2,1H3,(H2,6,7);(H2,1,2,3,4)
InChIKeyIJFWMXWOUZSJKG-UHFFFAOYSA-N
XLogP-1.30
TPSA147.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine?
The IUPAC name of hydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine (CID 173373687) is hydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine.
What is the SMILES notation for hydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine?
The canonical SMILES for hydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine is Cn1cc(N)c(N)n1.O=S(=O)([O-])O.[H+].
What is the InChIKey of hydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine?
The InChIKey is IJFWMXWOUZSJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.H2O4S/c1-8-2-3(5)4(6)7-8;1-5(2,3)4/h2H,5H2,1H3,(H2,6,7);(H2,1,2,3,4).
What are the key properties of hydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine?
hydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine has a molecular weight of 210.22 g/mol, XLogP of -1.30, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 173373687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).