2-(4-butyltriazol-1-yl)-1-phenylethanol

C14H19N3O — CID 135002533

IUPAC2-(4-butyltriazol-1-yl)-1-phenylethanol
SMILESCCCCc1cn(CC(O)c2ccccc2)nn1
InChIInChI=1S/C14H19N3O/c1-2-3-9-13-10-17(16-15-13)11-14(18)12-7-5-4-6-8-12/h4-8,10,14,18H,2-3,9,11H2,1H3
InChIKeyYATPJWJZSYLERN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.35
Rot. Bonds6

About 2-(4-butyltriazol-1-yl)-1-phenylethanol

2-(4-butyltriazol-1-yl)-1-phenylethanol (PubChem CID 135002533) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(4-butyltriazol-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(4-butyltriazol-1-yl)-1-phenylethanol
PubChem CID135002533
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(4-butyltriazol-1-yl)-1-phenylethanol
SMILESCCCCc1cn(CC(O)c2ccccc2)nn1
InChIInChI=1S/C14H19N3O/c1-2-3-9-13-10-17(16-15-13)11-14(18)12-7-5-4-6-8-12/h4-8,10,14,18H,2-3,9,11H2,1H3
InChIKeyYATPJWJZSYLERN-UHFFFAOYSA-N
XLogP2.35
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-1H-1,2,3-triazol-4-yl)methanol
CID 11651290
1-(1-benzyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 71671583
1-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176207
(1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol
CID 56835179
1-(1-Benzyltriazol-4-yl)cyclohexan-1-ol
CID 651657
1-Azolyl-4-phenyl-2-butanone, 59
CID 44604577
(2S,3R)-2-[4-(3-hydroxyphenyl)triazol-1-yl]dodecane-1,3-diol
CID 127049460
6-[4-[(2S,6S)-6-[[4-[(2S,6S)-6-(4-phenylmethoxybutyl)oxan-2-yl]triazol-1-yl]methyl]oxan-2-yl]butoxy]hexan-1-ol
CID 137637078
1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]ethan-1-ol
CID 53378213
2-(4-Butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 53378216
1-(2,4-Dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol
CID 53378217
2-(4-Cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 53378218

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyltriazol-1-yl)-1-phenylethanol?
The IUPAC name of 2-(4-butyltriazol-1-yl)-1-phenylethanol (CID 135002533) is 2-(4-butyltriazol-1-yl)-1-phenylethanol.
What is the SMILES notation for 2-(4-butyltriazol-1-yl)-1-phenylethanol?
The canonical SMILES for 2-(4-butyltriazol-1-yl)-1-phenylethanol is CCCCc1cn(CC(O)c2ccccc2)nn1.
What is the InChIKey of 2-(4-butyltriazol-1-yl)-1-phenylethanol?
The InChIKey is YATPJWJZSYLERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-9-13-10-17(16-15-13)11-14(18)12-7-5-4-6-8-12/h4-8,10,14,18H,2-3,9,11H2,1H3.
What are the key properties of 2-(4-butyltriazol-1-yl)-1-phenylethanol?
2-(4-butyltriazol-1-yl)-1-phenylethanol has a molecular weight of 245.33 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyltriazol-1-yl)-1-phenylethanol is sourced from PubChem (CID 135002533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).