5-chloro-1-hydroxytriazole;phosphoric acid

C2H5ClN3O5P — CID 68661091

IUPAC5-chloro-1-hydroxytriazole;phosphoric acid
SMILESO=P(O)(O)O.On1nncc1Cl
InChIInChI=1S/C2H2ClN3O.H3O4P/c3-2-1-4-5-6(2)7;1-5(2,3)4/h1,7H;(H3,1,2,3,4)
InChIKeyZSJSBCPALRRCOT-UHFFFAOYSA-N
MW217.50 g/mol
LogP-0.76
Rot. Bonds

About 5-chloro-1-hydroxytriazole;phosphoric acid

5-chloro-1-hydroxytriazole;phosphoric acid (PubChem CID 68661091) has the molecular formula C2H5ClN3O5P and a molecular weight of 217.50 g/mol. Its IUPAC name is 5-chloro-1-hydroxytriazole;phosphoric acid.

Molecular Properties

Compound Name5-chloro-1-hydroxytriazole;phosphoric acid
PubChem CID68661091
Molecular FormulaC2H5ClN3O5P
Molecular Weight217.50 g/mol
Exact Mass216.97
IUPAC Name5-chloro-1-hydroxytriazole;phosphoric acid
SMILESO=P(O)(O)O.On1nncc1Cl
InChIInChI=1S/C2H2ClN3O.H3O4P/c3-2-1-4-5-6(2)7;1-5(2,3)4/h1,7H;(H3,1,2,3,4)
InChIKeyZSJSBCPALRRCOT-UHFFFAOYSA-N
XLogP-0.76
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.50
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-hydroxytriazole;phosphoric acid?
The IUPAC name of 5-chloro-1-hydroxytriazole;phosphoric acid (CID 68661091) is 5-chloro-1-hydroxytriazole;phosphoric acid.
What is the SMILES notation for 5-chloro-1-hydroxytriazole;phosphoric acid?
The canonical SMILES for 5-chloro-1-hydroxytriazole;phosphoric acid is O=P(O)(O)O.On1nncc1Cl.
What is the InChIKey of 5-chloro-1-hydroxytriazole;phosphoric acid?
The InChIKey is ZSJSBCPALRRCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClN3O.H3O4P/c3-2-1-4-5-6(2)7;1-5(2,3)4/h1,7H;(H3,1,2,3,4).
What are the key properties of 5-chloro-1-hydroxytriazole;phosphoric acid?
5-chloro-1-hydroxytriazole;phosphoric acid has a molecular weight of 217.50 g/mol, XLogP of -0.76, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-hydroxytriazole;phosphoric acid is sourced from PubChem (CID 68661091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).