1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol

C18H28N4O — CID 46863382

IUPAC1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol
SMILESCCCCC(O)Cn1cc(CN(C)CCc2ccccc2)nn1
InChIInChI=1S/C18H28N4O/c1-3-4-10-18(23)15-22-14-17(19-20-22)13-21(2)12-11-16-8-6-5-7-9-16/h5-9,14,18,23H,3-4,10-13,15H2,1-2H3
InChIKeyOUAIDVCTSVYWQG-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.50
Rot. Bonds10

About 1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol

1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol (PubChem CID 46863382) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol.

Molecular Properties

Compound Name1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol
PubChem CID46863382
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol
SMILESCCCCC(O)Cn1cc(CN(C)CCc2ccccc2)nn1
InChIInChI=1S/C18H28N4O/c1-3-4-10-18(23)15-22-14-17(19-20-22)13-21(2)12-11-16-8-6-5-7-9-16/h5-9,14,18,23H,3-4,10-13,15H2,1-2H3
InChIKeyOUAIDVCTSVYWQG-UHFFFAOYSA-N
XLogP2.50
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol
CID 46902507
(3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-1-hexyl-6-(4-methylphenyl)piperidin-3-ol
CID 46902512
1-(1-Benzyltriazol-4-yl)cyclohexan-1-ol
CID 651657
1-Benzyl-4-decyl-1H-1,2,3-triazole
CID 46204132
3-Hydroxy-1-[3-(4-phenyltriazol-1-yl)propyl]pyridine-2-thione
CID 71142065
1-[2-[4-(4-Octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol
CID 72736217
1-Benzyl-4-octyl-triazole
CID 10423341
1-((3-Fluorophenyl)methyl)-1H-1,2,3-triazole-4-methanol
CID 24213791
2-[2-[4-[[Benzyl-[[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethanol
CID 155531672

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol?
The IUPAC name of 1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol (CID 46863382) is 1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol.
What is the SMILES notation for 1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol?
The canonical SMILES for 1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol is CCCCC(O)Cn1cc(CN(C)CCc2ccccc2)nn1.
What is the InChIKey of 1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol?
The InChIKey is OUAIDVCTSVYWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-3-4-10-18(23)15-22-14-17(19-20-22)13-21(2)12-11-16-8-6-5-7-9-16/h5-9,14,18,23H,3-4,10-13,15H2,1-2H3.
What are the key properties of 1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol?
1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol has a molecular weight of 316.45 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol is sourced from PubChem (CID 46863382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).