2-(triazol-2-yl)phenol;hydrochloride

C8H8ClN3O — CID 156757667

IUPAC2-(triazol-2-yl)phenol;hydrochloride
SMILESCl.Oc1ccccc1-n1nccn1
InChIInChI=1S/C8H7N3O.ClH/c12-8-4-2-1-3-7(8)11-9-5-6-10-11;/h1-6,12H;1H
InChIKeyKKJWMDKTBPDJEG-UHFFFAOYSA-N
MW197.63 g/mol
LogP1.39
Rot. Bonds1

About 2-(triazol-2-yl)phenol;hydrochloride

2-(triazol-2-yl)phenol;hydrochloride (PubChem CID 156757667) has the molecular formula C8H8ClN3O and a molecular weight of 197.63 g/mol. Its IUPAC name is 2-(triazol-2-yl)phenol;hydrochloride.

Molecular Properties

Compound Name2-(triazol-2-yl)phenol;hydrochloride
PubChem CID156757667
Molecular FormulaC8H8ClN3O
Molecular Weight197.63 g/mol
Exact Mass197.04
IUPAC Name2-(triazol-2-yl)phenol;hydrochloride
SMILESCl.Oc1ccccc1-n1nccn1
InChIInChI=1S/C8H7N3O.ClH/c12-8-4-2-1-3-7(8)11-9-5-6-10-11;/h1-6,12H;1H
InChIKeyKKJWMDKTBPDJEG-UHFFFAOYSA-N
XLogP1.39
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.63
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-2-yl)phenol;hydrochloride?
The IUPAC name of 2-(triazol-2-yl)phenol;hydrochloride (CID 156757667) is 2-(triazol-2-yl)phenol;hydrochloride.
What is the SMILES notation for 2-(triazol-2-yl)phenol;hydrochloride?
The canonical SMILES for 2-(triazol-2-yl)phenol;hydrochloride is Cl.Oc1ccccc1-n1nccn1.
What is the InChIKey of 2-(triazol-2-yl)phenol;hydrochloride?
The InChIKey is KKJWMDKTBPDJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O.ClH/c12-8-4-2-1-3-7(8)11-9-5-6-10-11;/h1-6,12H;1H.
What are the key properties of 2-(triazol-2-yl)phenol;hydrochloride?
2-(triazol-2-yl)phenol;hydrochloride has a molecular weight of 197.63 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-2-yl)phenol;hydrochloride is sourced from PubChem (CID 156757667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).