[1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol

C13H14F3N3O — CID 82208937

IUPAC[1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol
SMILESOCc1nnn(CCCc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)12-11(9-20)17-18-19(12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,20H,4,7-9H2
InChIKeyVIZWEIZLCCLKSW-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.42
Rot. Bonds5

About [1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol

[1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol (PubChem CID 82208937) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is [1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol
PubChem CID82208937
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name[1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol
SMILESOCc1nnn(CCCc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)12-11(9-20)17-18-19(12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,20H,4,7-9H2
InChIKeyVIZWEIZLCCLKSW-UHFFFAOYSA-N
XLogP2.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol
CID 94944856
[1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82203256
[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine
CID 82208944
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol
CID 82210146
[1-(3-phenylpropyl)triazol-4-yl]methanol
CID 62401838
[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol
CID 43647400
1-benzyl-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 66849727
[1-butyl-5-(trichloromethyl)triazol-4-yl]methanol
CID 82205459
[1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine
CID 82208955
[1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
CID 82205810
5-(2-phenylethyl)-1-(3-phenylpropyl)triazole-4-carbaldehyde
CID 94944858

Frequently Asked Questions

What is the IUPAC name of [1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol (CID 82208937) is [1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol is OCc1nnn(CCCc2ccccc2)c1C(F)(F)F.
What is the InChIKey of [1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol?
The InChIKey is VIZWEIZLCCLKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c14-13(15,16)12-11(9-20)17-18-19(12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,20H,4,7-9H2.
What are the key properties of [1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol?
[1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol has a molecular weight of 285.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82208937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).