3-[5-(2-hydroxypropyl)triazol-1-yl]phenol

C11H13N3O2 — CID 117167193

IUPAC3-[5-(2-hydroxypropyl)triazol-1-yl]phenol
SMILESCC(O)Cc1cnnn1-c1cccc(O)c1
InChIInChI=1S/C11H13N3O2/c1-8(15)5-10-7-12-13-14(10)9-3-2-4-11(16)6-9/h2-4,6-8,15-16H,5H2,1H3
InChIKeyWAERLALLGZMBGY-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.90
Rot. Bonds3

About 3-[5-(2-hydroxypropyl)triazol-1-yl]phenol

3-[5-(2-hydroxypropyl)triazol-1-yl]phenol (PubChem CID 117167193) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[5-(2-hydroxypropyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name3-[5-(2-hydroxypropyl)triazol-1-yl]phenol
PubChem CID117167193
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[5-(2-hydroxypropyl)triazol-1-yl]phenol
SMILESCC(O)Cc1cnnn1-c1cccc(O)c1
InChIInChI=1S/C11H13N3O2/c1-8(15)5-10-7-12-13-14(10)9-3-2-4-11(16)6-9/h2-4,6-8,15-16H,5H2,1H3
InChIKeyWAERLALLGZMBGY-UHFFFAOYSA-N
XLogP0.90
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-aminotriazol-1-yl)phenol
CID 105436385
3-(3-hydroxyphenyl)triazole-4-carbaldehyde
CID 82363674
1-[3-[3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
CID 117167254
5-(chloromethyl)-1-(3-propan-2-ylphenyl)triazole
CID 56772051
N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine
CID 114690435
N-[[3-(3-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107451095
N-[[3-(3-methylphenyl)triazol-4-yl]methyl]ethanamine
CID 107451191
2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 114690443
1-[3-(3-fluorophenyl)triazol-4-yl]-2-methylpropan-2-ol
CID 117167225
5-(chloromethyl)-1-[3-(methoxymethyl)phenyl]triazole
CID 107450905
3-(5-amino-4-propan-2-yltriazol-1-yl)phenol
CID 105472470
1-[3-(3-chlorophenyl)triazol-4-yl]ethanol
CID 117167214

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-hydroxypropyl)triazol-1-yl]phenol?
The IUPAC name of 3-[5-(2-hydroxypropyl)triazol-1-yl]phenol (CID 117167193) is 3-[5-(2-hydroxypropyl)triazol-1-yl]phenol.
What is the SMILES notation for 3-[5-(2-hydroxypropyl)triazol-1-yl]phenol?
The canonical SMILES for 3-[5-(2-hydroxypropyl)triazol-1-yl]phenol is CC(O)Cc1cnnn1-c1cccc(O)c1.
What is the InChIKey of 3-[5-(2-hydroxypropyl)triazol-1-yl]phenol?
The InChIKey is WAERLALLGZMBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(15)5-10-7-12-13-14(10)9-3-2-4-11(16)6-9/h2-4,6-8,15-16H,5H2,1H3.
What are the key properties of 3-[5-(2-hydroxypropyl)triazol-1-yl]phenol?
3-[5-(2-hydroxypropyl)triazol-1-yl]phenol has a molecular weight of 219.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-hydroxypropyl)triazol-1-yl]phenol is sourced from PubChem (CID 117167193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).