5-(2-chlorophenyl)-1-hydroxytriazole

C8H6ClN3O — CID 19600582

IUPAC5-(2-chlorophenyl)-1-hydroxytriazole
SMILESOn1nncc1-c1ccccc1Cl
InChIInChI=1S/C8H6ClN3O/c9-7-4-2-1-3-6(7)8-5-10-11-12(8)13/h1-5,13H
InChIKeyDKLKVVJGFWADNR-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.84
Rot. Bonds1

About 5-(2-chlorophenyl)-1-hydroxytriazole

5-(2-chlorophenyl)-1-hydroxytriazole (PubChem CID 19600582) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-hydroxytriazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-hydroxytriazole
PubChem CID19600582
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name5-(2-chlorophenyl)-1-hydroxytriazole
SMILESOn1nncc1-c1ccccc1Cl
InChIInChI=1S/C8H6ClN3O/c9-7-4-2-1-3-6(7)8-5-10-11-12(8)13/h1-5,13H
InChIKeyDKLKVVJGFWADNR-UHFFFAOYSA-N
XLogP1.84
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-hydroxytriazole?
The IUPAC name of 5-(2-chlorophenyl)-1-hydroxytriazole (CID 19600582) is 5-(2-chlorophenyl)-1-hydroxytriazole.
What is the SMILES notation for 5-(2-chlorophenyl)-1-hydroxytriazole?
The canonical SMILES for 5-(2-chlorophenyl)-1-hydroxytriazole is On1nncc1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-1-hydroxytriazole?
The InChIKey is DKLKVVJGFWADNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-7-4-2-1-3-6(7)8-5-10-11-12(8)13/h1-5,13H.
What are the key properties of 5-(2-chlorophenyl)-1-hydroxytriazole?
5-(2-chlorophenyl)-1-hydroxytriazole has a molecular weight of 195.61 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-hydroxytriazole is sourced from PubChem (CID 19600582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).