(1S)-1-(1-benzyltriazol-4-yl)ethanol

C11H13N3O — CID 75176225

IUPAC(1S)-1-(1-benzyltriazol-4-yl)ethanol
SMILESC[C@H](O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C11H13N3O/c1-9(15)11-8-14(13-12-11)7-10-5-3-2-4-6-10/h2-6,8-9,15H,7H2,1H3/t9-/m0/s1
InChIKeyMRHOPRBQUJHPOX-VIFPVBQESA-N
MW203.25 g/mol
LogP1.38
Rot. Bonds3

About (1S)-1-(1-benzyltriazol-4-yl)ethanol

(1S)-1-(1-benzyltriazol-4-yl)ethanol (PubChem CID 75176225) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is (1S)-1-(1-benzyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1-benzyltriazol-4-yl)ethanol
PubChem CID75176225
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name(1S)-1-(1-benzyltriazol-4-yl)ethanol
SMILESC[C@H](O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C11H13N3O/c1-9(15)11-8-14(13-12-11)7-10-5-3-2-4-6-10/h2-6,8-9,15H,7H2,1H3/t9-/m0/s1
InChIKeyMRHOPRBQUJHPOX-VIFPVBQESA-N
XLogP1.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol
CID 67547455
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanol
CID 81444396
1-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]ethanol
CID 81444577
1-(1-benzyltriazol-4-yl)-N,N-bis[1-(1-benzyltriazol-4-yl)ethyl]ethanamine
CID 175127031
2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]phenyl]benzoic acid
CID 166385430
3-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 81444220
diethyl 2-(1-benzyltriazol-4-yl)propanedioate
CID 134946268
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol
CID 81444006
1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazol-4-yl]ethanol
CID 81444296
3-[[4-(1-chloroethyl)triazol-1-yl]methyl]pyridine
CID 81449718
1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol
CID 81444678
(1-benzyltriazol-4-yl)-naphthalen-2-ylmethanol
CID 134157197

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-benzyltriazol-4-yl)ethanol?
The IUPAC name of (1S)-1-(1-benzyltriazol-4-yl)ethanol (CID 75176225) is (1S)-1-(1-benzyltriazol-4-yl)ethanol.
What is the SMILES notation for (1S)-1-(1-benzyltriazol-4-yl)ethanol?
The canonical SMILES for (1S)-1-(1-benzyltriazol-4-yl)ethanol is C[C@H](O)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of (1S)-1-(1-benzyltriazol-4-yl)ethanol?
The InChIKey is MRHOPRBQUJHPOX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3O/c1-9(15)11-8-14(13-12-11)7-10-5-3-2-4-6-10/h2-6,8-9,15H,7H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(1-benzyltriazol-4-yl)ethanol?
(1S)-1-(1-benzyltriazol-4-yl)ethanol has a molecular weight of 203.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-benzyltriazol-4-yl)ethanol is sourced from PubChem (CID 75176225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).