(2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol

C20H24N4O — CID 124820127

IUPAC(2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H24N4O/c1-2-18(15-25)21-13-19-20(17-11-7-4-8-12-17)23-24(22-19)14-16-9-5-3-6-10-16/h3-12,18,21,25H,2,13-15H2,1H3/t18-/m1/s1
InChIKeyFOOJOTDGYIUFCL-GOSISDBHSA-N
MW336.44 g/mol
LogP2.85
Rot. Bonds8

About (2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol

(2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol (PubChem CID 124820127) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
PubChem CID124820127
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H24N4O/c1-2-18(15-25)21-13-19-20(17-11-7-4-8-12-17)23-24(22-19)14-16-9-5-3-6-10-16/h3-12,18,21,25H,2,13-15H2,1H3/t18-/m1/s1
InChIKeyFOOJOTDGYIUFCL-GOSISDBHSA-N
XLogP2.85
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol with MolForge

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Related Compounds

(2S)-2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124821510
(2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
CID 51684343
(2S)-2-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124821957
(2R)-2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124822746
(2R)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821453
(2S)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821452
(2S)-2-[(5-phenyl-2H-triazol-4-yl)methylamino]butan-1-ol
CID 98571652
(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 51684317
N-[[2-[(4-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124826046
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
CID 124805517
(1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol
CID 124785919
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol (CID 124820127) is (2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol is CC[C@H](CO)NCc1nn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol?
The InChIKey is FOOJOTDGYIUFCL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-18(15-25)21-13-19-20(17-11-7-4-8-12-17)23-24(22-19)14-16-9-5-3-6-10-16/h3-12,18,21,25H,2,13-15H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol?
(2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol has a molecular weight of 336.44 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 124820127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).