2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite

C5H12N4O5S — CID 163507816

IUPAC2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite
SMILESNc1cnn(CCO)c1N.O=S(O)OO
InChIInChI=1S/C5H10N4O.H2O4S/c6-4-3-8-9(1-2-10)5(4)7;1-4-5(2)3/h3,10H,1-2,6-7H2;1H,(H,2,3)
InChIKeyDAAWVCBSNWGUIL-UHFFFAOYSA-N
MW240.24 g/mol
LogP-1.35
Rot. Bonds3

About 2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite

2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite (PubChem CID 163507816) has the molecular formula C5H12N4O5S and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite.

Molecular Properties

Compound Name2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite
PubChem CID163507816
Molecular FormulaC5H12N4O5S
Molecular Weight240.24 g/mol
Exact Mass240.05
IUPAC Name2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite
SMILESNc1cnn(CCO)c1N.O=S(O)OO
InChIInChI=1S/C5H10N4O.H2O4S/c6-4-3-8-9(1-2-10)5(4)7;1-4-5(2)3/h3,10H,1-2,6-7H2;1H,(H,2,3)
InChIKeyDAAWVCBSNWGUIL-UHFFFAOYSA-N
XLogP-1.35
TPSA156.85 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-1.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol
CID 68563050
4-(4,5-diaminopyrazol-1-yl)butanamide
CID 58913950
1-(3-aminopropyl)pyrazole-4,5-diamine
CID 22227390
1-(3-methoxybutyl)pyrazole-4,5-diamine
CID 58913917
2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol
CID 22918623
1-(2-aminoprop-2-enyl)pyrazole-4,5-diamine
CID 21018096
4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine
CID 160635766
1-prop-2-enylpyrazole-4,5-diamine
CID 67655592
1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine
CID 58913904
1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol
CID 58980398
2-(4,5-dimethylpyrazol-1-yl)ethanol
CID 58514590
2-[4-amino-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyrazol-1-yl]ethanol
CID 68547617

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite?
The IUPAC name of 2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite (CID 163507816) is 2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite.
What is the SMILES notation for 2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite?
The canonical SMILES for 2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite is Nc1cnn(CCO)c1N.O=S(O)OO.
What is the InChIKey of 2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite?
The InChIKey is DAAWVCBSNWGUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.H2O4S/c6-4-3-8-9(1-2-10)5(4)7;1-4-5(2)3/h3,10H,1-2,6-7H2;1H,(H,2,3).
What are the key properties of 2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite?
2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite has a molecular weight of 240.24 g/mol, XLogP of -1.35, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite is sourced from PubChem (CID 163507816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).