3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol

C9H9N3O2 — CID 117167824

IUPAC3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol
SMILESOCc1n[nH]nc1-c1cccc(O)c1
InChIInChI=1S/C9H9N3O2/c13-5-8-9(11-12-10-8)6-2-1-3-7(14)4-6/h1-4,13-14H,5H2,(H,10,11,12)
InChIKeyWGGXSVPGJZKOAR-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.67
Rot. Bonds2

About 3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol

3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol (PubChem CID 117167824) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol
PubChem CID117167824
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol
SMILESOCc1n[nH]nc1-c1cccc(O)c1
InChIInChI=1S/C9H9N3O2/c13-5-8-9(11-12-10-8)6-2-1-3-7(14)4-6/h1-4,13-14H,5H2,(H,10,11,12)
InChIKeyWGGXSVPGJZKOAR-UHFFFAOYSA-N
XLogP0.67
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol
CID 63644198
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 84687952
azulene-1,5-diol
CID 71327638
3-(3-amino-1H-pyrazol-5-yl)phenol
CID 55253217
4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
3-(1H-indazol-4-yl)phenol
CID 83445848
3-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenol
CID 22953773
3-[3-(2-hydroxyethyl)phenyl]phenol
CID 11413238
3-(2,6-difluorophenyl)phenol
CID 53218544
3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol
CID 164885092
3-(5-chloro-1H-1,2,4-triazol-3-yl)phenol
CID 84666531

Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol?
The IUPAC name of 3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol (CID 117167824) is 3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol.
What is the SMILES notation for 3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol?
The canonical SMILES for 3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol is OCc1n[nH]nc1-c1cccc(O)c1.
What is the InChIKey of 3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol?
The InChIKey is WGGXSVPGJZKOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-5-8-9(11-12-10-8)6-2-1-3-7(14)4-6/h1-4,13-14H,5H2,(H,10,11,12).
What are the key properties of 3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol?
3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol has a molecular weight of 191.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol is sourced from PubChem (CID 117167824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).