2-[4-(hydroxymethyl)triazol-1-yl]phenol

C9H9N3O2 — CID 86214244

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]phenol
SMILESOCc1cn(-c2ccccc2O)nn1
InChIInChI=1S/C9H9N3O2/c13-6-7-5-12(11-10-7)8-3-1-2-4-9(8)14/h1-5,13-14H,6H2
InChIKeyRFYAJUHFDLUIKP-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.47
Rot. Bonds2

About 2-[4-(hydroxymethyl)triazol-1-yl]phenol

2-[4-(hydroxymethyl)triazol-1-yl]phenol (PubChem CID 86214244) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]phenol
PubChem CID86214244
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]phenol
SMILESOCc1cn(-c2ccccc2O)nn1
InChIInChI=1S/C9H9N3O2/c13-6-7-5-12(11-10-7)8-3-1-2-4-9(8)14/h1-5,13-14H,6H2
InChIKeyRFYAJUHFDLUIKP-UHFFFAOYSA-N
XLogP0.47
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]phenol?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]phenol (CID 86214244) is 2-[4-(hydroxymethyl)triazol-1-yl]phenol.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]phenol?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]phenol is OCc1cn(-c2ccccc2O)nn1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]phenol?
The InChIKey is RFYAJUHFDLUIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-6-7-5-12(11-10-7)8-3-1-2-4-9(8)14/h1-5,13-14H,6H2.
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]phenol?
2-[4-(hydroxymethyl)triazol-1-yl]phenol has a molecular weight of 191.19 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]phenol is sourced from PubChem (CID 86214244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).