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

C24H24N4O — CID 124785919

IUPAC(1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol
SMILESO[C@@H](CNCc1nn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N4O/c29-23(20-12-6-2-7-13-20)17-25-16-22-24(21-14-8-3-9-15-21)27-28(26-22)18-19-10-4-1-5-11-19/h1-15,23,25,29H,16-18H2/t23-/m0/s1
InChIKeyMXSLKASFEHMFHR-QHCPKHFHSA-N
MW384.48 g/mol
LogP3.82
Rot. Bonds8

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

(1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol (PubChem CID 124785919) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is (1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol
PubChem CID124785919
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol
SMILESO[C@@H](CNCc1nn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N4O/c29-23(20-12-6-2-7-13-20)17-25-16-22-24(21-14-8-3-9-15-21)27-28(26-22)18-19-10-4-1-5-11-19/h1-15,23,25,29H,16-18H2/t23-/m0/s1
InChIKeyMXSLKASFEHMFHR-QHCPKHFHSA-N
XLogP3.82
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-1-phenylethanol
CID 124786663
(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 51684317
(2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
CID 124826754
(2S)-1-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
CID 124801639
(2S)-1-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
CID 124826116
N-[[2-[(4-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124826046
(2R)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821453
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 124815871
(2S)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821452
N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
CID 124895280
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine
CID 125114358
2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol
CID 124811393

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol (CID 124785919) is (1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol is O[C@@H](CNCc1nn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol?
The InChIKey is MXSLKASFEHMFHR-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24N4O/c29-23(20-12-6-2-7-13-20)17-25-16-22-24(21-14-8-3-9-15-21)27-28(26-22)18-19-10-4-1-5-11-19/h1-15,23,25,29H,16-18H2/t23-/m0/s1.
What are the key properties of (1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol?
(1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol has a molecular weight of 384.48 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol is sourced from PubChem (CID 124785919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).