N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

C21H24N4O — CID 124814533

IUPACN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESc1ccc(Cn2nc(CNC[C@@H]3CCCO3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H24N4O/c1-3-8-17(9-4-1)16-25-23-20(15-22-14-19-12-7-13-26-19)21(24-25)18-10-5-2-6-11-18/h1-6,8-11,19,22H,7,12-16H2/t19-/m0/s1
InChIKeyHBYFGLPHSJETGK-IBGZPJMESA-N
MW348.45 g/mol
LogP3.26
Rot. Bonds7

About N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (PubChem CID 124814533) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
PubChem CID124814533
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESc1ccc(Cn2nc(CNC[C@@H]3CCCO3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H24N4O/c1-3-8-17(9-4-1)16-25-23-20(15-22-14-19-12-7-13-26-19)21(24-25)18-10-5-2-6-11-18/h1-6,8-11,19,22H,7,12-16H2/t19-/m0/s1
InChIKeyHBYFGLPHSJETGK-IBGZPJMESA-N
XLogP3.26
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine with MolForge

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Related Compounds

N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124797324
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-piperidin-4-ylmethanamine
CID 125114358
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 124815871
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51923541
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-phenylethanamine
CID 124895635
N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27210541
1-(1,3-benzodioxol-5-yl)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]methanamine
CID 124811710
1-benzyl-4-[(oxolan-2-ylmethylamino)methyl]-2H-pyridin-3-ol
CID 154333958
N-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 119108573
N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine
CID 62563641
(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 43016025

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (CID 124814533) is N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is c1ccc(Cn2nc(CNC[C@@H]3CCCO3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The InChIKey is HBYFGLPHSJETGK-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-8-17(9-4-1)16-25-23-20(15-22-14-19-12-7-13-26-19)21(24-25)18-10-5-2-6-11-18/h1-6,8-11,19,22H,7,12-16H2/t19-/m0/s1.
What are the key properties of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine has a molecular weight of 348.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 124814533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).