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

C19H21N3O — CID 94938536

IUPAC[1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol
SMILESCc1ccc(-n2nnc(CO)c2CCc2ccccc2)c(C)c1
InChIInChI=1S/C19H21N3O/c1-14-8-10-18(15(2)12-14)22-19(17(13-23)20-21-22)11-9-16-6-4-3-5-7-16/h3-8,10,12,23H,9,11,13H2,1-2H3
InChIKeyLRGOBTCVCZLIJU-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.16
Rot. Bonds5

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

[1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol (PubChem CID 94938536) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is [1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol
PubChem CID94938536
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name[1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol
SMILESCc1ccc(-n2nnc(CO)c2CCc2ccccc2)c(C)c1
InChIInChI=1S/C19H21N3O/c1-14-8-10-18(15(2)12-14)22-19(17(13-23)20-21-22)11-9-16-6-4-3-5-7-16/h3-8,10,12,23H,9,11,13H2,1-2H3
InChIKeyLRGOBTCVCZLIJU-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-1-(2,4-dimethylphenyl)triazole-4-carboxylic acid
CID 94940495
[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol
CID 82195788
5-benzyl-1-(2,4-dimethylphenyl)triazole-4-carbaldehyde
CID 82198564
[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol
CID 94937113
[1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol
CID 82195856
[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 82198228
[5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine
CID 82200300
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51234652
[5-benzyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanol
CID 94962795
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol
CID 82197565
[5-[2-(4-methylphenyl)ethyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210815
[5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 82196453

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol (CID 94938536) is [1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol is Cc1ccc(-n2nnc(CO)c2CCc2ccccc2)c(C)c1.
What is the InChIKey of [1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol?
The InChIKey is LRGOBTCVCZLIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-8-10-18(15(2)12-14)22-19(17(13-23)20-21-22)11-9-16-6-4-3-5-7-16/h3-8,10,12,23H,9,11,13H2,1-2H3.
What are the key properties of [1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol?
[1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol has a molecular weight of 307.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol is sourced from PubChem (CID 94938536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).