5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid

C4H10N4O4S — CID 69462537

IUPAC5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid
SMILESCc1[nH]nc(N)c1N.O=S(=O)(O)O
InChIInChI=1S/C4H8N4.H2O4S/c1-2-3(5)4(6)8-7-2;1-5(2,3)4/h5H2,1H3,(H3,6,7,8);(H2,1,2,3,4)
InChIKeyMKEDYHHJFLFEHF-UHFFFAOYSA-N
MW210.21 g/mol
LogP-0.77
Rot. Bonds

About 5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid

5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid (PubChem CID 69462537) has the molecular formula C4H10N4O4S and a molecular weight of 210.21 g/mol. Its IUPAC name is 5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid.

Molecular Properties

Compound Name5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid
PubChem CID69462537
Molecular FormulaC4H10N4O4S
Molecular Weight210.21 g/mol
Exact Mass210.04
IUPAC Name5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid
SMILESCc1[nH]nc(N)c1N.O=S(=O)(O)O
InChIInChI=1S/C4H8N4.H2O4S/c1-2-3(5)4(6)8-7-2;1-5(2,3)4/h5H2,1H3,(H3,6,7,8);(H2,1,2,3,4)
InChIKeyMKEDYHHJFLFEHF-UHFFFAOYSA-N
XLogP-0.77
TPSA155.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-0.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid?
The IUPAC name of 5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid (CID 69462537) is 5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid.
What is the SMILES notation for 5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid?
The canonical SMILES for 5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid is Cc1[nH]nc(N)c1N.O=S(=O)(O)O.
What is the InChIKey of 5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid?
The InChIKey is MKEDYHHJFLFEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.H2O4S/c1-2-3(5)4(6)8-7-2;1-5(2,3)4/h5H2,1H3,(H3,6,7,8);(H2,1,2,3,4).
What are the key properties of 5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid?
5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid has a molecular weight of 210.21 g/mol, XLogP of -0.77, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid is sourced from PubChem (CID 69462537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).