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

C19H21N3O — CID 94944856

IUPAC[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol
SMILESOCc1nnn(CCCc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C19H21N3O/c23-15-18-19(14-17-10-5-2-6-11-17)22(21-20-18)13-7-12-16-8-3-1-4-9-16/h1-6,8-11,23H,7,12-15H2
InChIKeyPVOCLKIBBXXTGI-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.99
Rot. Bonds7

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

[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol (PubChem CID 94944856) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is [5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol
PubChem CID94944856
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol
SMILESOCc1nnn(CCCc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C19H21N3O/c23-15-18-19(14-17-10-5-2-6-11-17)22(21-20-18)13-7-12-16-8-3-1-4-9-16/h1-6,8-11,23H,7,12-15H2
InChIKeyPVOCLKIBBXXTGI-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
[1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82208937
[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine
CID 82208944
[5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol
CID 82205720
5-(2-phenylethyl)-1-(3-phenylpropyl)triazole-4-carbaldehyde
CID 94944858
[5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol
CID 82204986
4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol
CID 82194898
[5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol
CID 82208301
[1-heptyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanol
CID 98824391
(1,5-dibenzyltriazol-4-yl)methanamine
CID 82203152
5-ethyl-1-(4-phenylbutyl)triazole-4-carboxylic acid
CID 114334537
(5-benzyl-1-ethyltriazol-4-yl)methanamine
CID 82207476

Frequently Asked Questions

What is the IUPAC name of [5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol?
The IUPAC name of [5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol (CID 94944856) is [5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol?
The canonical SMILES for [5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol is OCc1nnn(CCCc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of [5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol?
The InChIKey is PVOCLKIBBXXTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-15-18-19(14-17-10-5-2-6-11-17)22(21-20-18)13-7-12-16-8-3-1-4-9-16/h1-6,8-11,23H,7,12-15H2.
What are the key properties of [5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol?
[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol has a molecular weight of 307.40 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol is sourced from PubChem (CID 94944856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).