4-[4-(1-hydroxyethyl)triazol-1-yl]phenol

C10H11N3O2 — CID 117167691

IUPAC4-[4-(1-hydroxyethyl)triazol-1-yl]phenol
SMILESCC(O)c1cn(-c2ccc(O)cc2)nn1
InChIInChI=1S/C10H11N3O2/c1-7(14)10-6-13(12-11-10)8-2-4-9(15)5-3-8/h2-7,14-15H,1H3
InChIKeyXQOOMUXOWOQPQV-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.03
Rot. Bonds2

About 4-[4-(1-hydroxyethyl)triazol-1-yl]phenol

4-[4-(1-hydroxyethyl)triazol-1-yl]phenol (PubChem CID 117167691) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-[4-(1-hydroxyethyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(1-hydroxyethyl)triazol-1-yl]phenol
PubChem CID117167691
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-[4-(1-hydroxyethyl)triazol-1-yl]phenol
SMILESCC(O)c1cn(-c2ccc(O)cc2)nn1
InChIInChI=1S/C10H11N3O2/c1-7(14)10-6-13(12-11-10)8-2-4-9(15)5-3-8/h2-7,14-15H,1H3
InChIKeyXQOOMUXOWOQPQV-UHFFFAOYSA-N
XLogP1.03
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-hydroxyethyl)triazol-1-yl]phenol?
The IUPAC name of 4-[4-(1-hydroxyethyl)triazol-1-yl]phenol (CID 117167691) is 4-[4-(1-hydroxyethyl)triazol-1-yl]phenol.
What is the SMILES notation for 4-[4-(1-hydroxyethyl)triazol-1-yl]phenol?
The canonical SMILES for 4-[4-(1-hydroxyethyl)triazol-1-yl]phenol is CC(O)c1cn(-c2ccc(O)cc2)nn1.
What is the InChIKey of 4-[4-(1-hydroxyethyl)triazol-1-yl]phenol?
The InChIKey is XQOOMUXOWOQPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(14)10-6-13(12-11-10)8-2-4-9(15)5-3-8/h2-7,14-15H,1H3.
What are the key properties of 4-[4-(1-hydroxyethyl)triazol-1-yl]phenol?
4-[4-(1-hydroxyethyl)triazol-1-yl]phenol has a molecular weight of 205.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-hydroxyethyl)triazol-1-yl]phenol is sourced from PubChem (CID 117167691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).