2H-triazol-4-yl hypochlorite

C2H2ClN3O — CID 175307130

IUPAC2H-triazol-4-yl hypochlorite
SMILESClOc1cn[nH]n1
InChIInChI=1S/C2H2ClN3O/c3-7-2-1-4-6-5-2/h1H,(H,4,5,6)
InChIKeyLTEBISPLIRMFMF-UHFFFAOYSA-N
MW119.51 g/mol
LogP0.34
Rot. Bonds1

About 2H-triazol-4-yl hypochlorite

2H-triazol-4-yl hypochlorite (PubChem CID 175307130) has the molecular formula C2H2ClN3O and a molecular weight of 119.51 g/mol. Its IUPAC name is 2H-triazol-4-yl hypochlorite.

Molecular Properties

Compound Name2H-triazol-4-yl hypochlorite
PubChem CID175307130
Molecular FormulaC2H2ClN3O
Molecular Weight119.51 g/mol
Exact Mass118.99
IUPAC Name2H-triazol-4-yl hypochlorite
SMILESClOc1cn[nH]n1
InChIInChI=1S/C2H2ClN3O/c3-7-2-1-4-6-5-2/h1H,(H,4,5,6)
InChIKeyLTEBISPLIRMFMF-UHFFFAOYSA-N
XLogP0.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.51
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-triazol-4-yl hypochlorite?
The IUPAC name of 2H-triazol-4-yl hypochlorite (CID 175307130) is 2H-triazol-4-yl hypochlorite.
What is the SMILES notation for 2H-triazol-4-yl hypochlorite?
The canonical SMILES for 2H-triazol-4-yl hypochlorite is ClOc1cn[nH]n1.
What is the InChIKey of 2H-triazol-4-yl hypochlorite?
The InChIKey is LTEBISPLIRMFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClN3O/c3-7-2-1-4-6-5-2/h1H,(H,4,5,6).
What are the key properties of 2H-triazol-4-yl hypochlorite?
2H-triazol-4-yl hypochlorite has a molecular weight of 119.51 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazol-4-yl hypochlorite is sourced from PubChem (CID 175307130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).