[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol

C11H13N3O — CID 79601055

IUPAC[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESOCc1nc(CCc2ccccc2)n[nH]1
InChIInChI=1S/C11H13N3O/c15-8-11-12-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,15H,6-8H2,(H,12,13,14)
InChIKeyCQARLTHXPHHCKO-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.08
Rot. Bonds4

About [3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol

[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 79601055) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is [3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol
PubChem CID79601055
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESOCc1nc(CCc2ccccc2)n[nH]1
InChIInChI=1S/C11H13N3O/c15-8-11-12-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,15H,6-8H2,(H,12,13,14)
InChIKeyCQARLTHXPHHCKO-UHFFFAOYSA-N
XLogP1.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole
CID 61337716
5-[(4-methylsulfonylphenyl)methyl]-3-(2-phenylethyl)-1H-1,2,4-triazole
CID 50958608
N-methyl-N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]-1-pyridin-4-ylmethanamine
CID 50951240
(5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione
CID 95144362
3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one
CID 50979819
N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide
CID 56720881
[3-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79964961
benzene;2-phenylethylbenzene
CID 18982764
[3-[2-(methylamino)ethyl]-1H-1,2,4-triazol-5-yl]methanol dichloride
CID 21230618
3-cyclopropyl-5-(2-phenylethyl)-1H-1,2,4-triazole
CID 61338115
1-[3-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-5-yl]-N-methylmethanamine
CID 82568233
[3-[[(3-methyl-2-phenylbutyl)amino]methyl]-1H-1,2,4-triazol-5-yl]methanol
CID 138047651

Frequently Asked Questions

What is the IUPAC name of [3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol (CID 79601055) is [3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol is OCc1nc(CCc2ccccc2)n[nH]1.
What is the InChIKey of [3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is CQARLTHXPHHCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c15-8-11-12-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,15H,6-8H2,(H,12,13,14).
What are the key properties of [3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol?
[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 203.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 79601055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).