(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol

C12H15N3O — CID 67547455

IUPAC(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol
SMILESCc1ccc(Cn2cc([C@@H](C)O)nn2)cc1
InChIInChI=1S/C12H15N3O/c1-9-3-5-11(6-4-9)7-15-8-12(10(2)16)13-14-15/h3-6,8,10,16H,7H2,1-2H3/t10-/m1/s1
InChIKeyIFEIXUQOBVMDBE-SNVBAGLBSA-N
MW217.27 g/mol
LogP1.69
Rot. Bonds3

About (1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol

(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol (PubChem CID 67547455) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol
PubChem CID67547455
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol
SMILESCc1ccc(Cn2cc([C@@H](C)O)nn2)cc1
InChIInChI=1S/C12H15N3O/c1-9-3-5-11(6-4-9)7-15-8-12(10(2)16)13-14-15/h3-6,8,10,16H,7H2,1-2H3/t10-/m1/s1
InChIKeyIFEIXUQOBVMDBE-SNVBAGLBSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
1-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]ethanol
CID 81444577
1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanamine
CID 114419617
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanol
CID 81444396
2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]phenyl]benzoic acid
CID 166385430
4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
CID 114419757
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
[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469
3-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 81444220
4-(1-bromoethyl)-1-[(4-ethylphenyl)methyl]triazole
CID 81450069
1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419662

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol?
The IUPAC name of (1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol (CID 67547455) is (1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol is Cc1ccc(Cn2cc([C@@H](C)O)nn2)cc1.
What is the InChIKey of (1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol?
The InChIKey is IFEIXUQOBVMDBE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-3-5-11(6-4-9)7-15-8-12(10(2)16)13-14-15/h3-6,8,10,16H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol?
(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol has a molecular weight of 217.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 67547455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).