O-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine

C4H9N5OS — CID 131223117

IUPACO-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine
SMILESNOCCSc1nncn1N
InChIInChI=1S/C4H9N5OS/c5-9-3-7-8-4(9)11-2-1-10-6/h3H,1-2,5-6H2
InChIKeyPEPPXMSOPQFEPC-UHFFFAOYSA-N
MW175.22 g/mol
LogP-1.03
Rot. Bonds4

About O-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine

O-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine (PubChem CID 131223117) has the molecular formula C4H9N5OS and a molecular weight of 175.22 g/mol. Its IUPAC name is O-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine
PubChem CID131223117
Molecular FormulaC4H9N5OS
Molecular Weight175.22 g/mol
Exact Mass175.05
IUPAC NameO-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine
SMILESNOCCSc1nncn1N
InChIInChI=1S/C4H9N5OS/c5-9-3-7-8-4(9)11-2-1-10-6/h3H,1-2,5-6H2
InChIKeyPEPPXMSOPQFEPC-UHFFFAOYSA-N
XLogP-1.03
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine (CID 131223117) is O-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine is NOCCSc1nncn1N.
What is the InChIKey of O-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine?
The InChIKey is PEPPXMSOPQFEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5OS/c5-9-3-7-8-4(9)11-2-1-10-6/h3H,1-2,5-6H2.
What are the key properties of O-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine?
O-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine has a molecular weight of 175.22 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethyl]hydroxylamine is sourced from PubChem (CID 131223117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).