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'}

Analyze hydrogen sulfate;hydron;1-methylpyrazole-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11673148
CID 11673148
CID 21904571
CID 21904571
CID 68601034
CID 68601034
CID 75531037
CID 75531037
CID 10290764
CID 10290764
CID 18541936
CID 18541936
CID 66509601
CID 66509601
CID 13525020
CID 13525020
CID 15166013
CID 15166013
CID 66509522
CID 66509522
CID 66509523
CID 66509523
CID 80357750
CID 80357750

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).