N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride

C23H24ClN5O — CID 132910686

IUPACN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
SMILESCl.c1ccc(Cn2nc(CNCCOc3ccccn3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H23N5O.ClH/c1-3-9-19(10-4-1)18-28-26-21(23(27-28)20-11-5-2-6-12-20)17-24-15-16-29-22-13-7-8-14-25-22;/h1-14,24H,15-18H2;1H
InChIKeyHIUHJRGLENMCAG-UHFFFAOYSA-N
MW421.93 g/mol
LogP3.98
Rot. Bonds9

About N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride

N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride (PubChem CID 132910686) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
PubChem CID132910686
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC NameN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
SMILESCl.c1ccc(Cn2nc(CNCCOc3ccccn3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H23N5O.ClH/c1-3-9-19(10-4-1)18-28-26-21(23(27-28)20-11-5-2-6-12-20)17-24-15-16-29-22-13-7-8-14-25-22;/h1-14,24H,15-18H2;1H
InChIKeyHIUHJRGLENMCAG-UHFFFAOYSA-N
XLogP3.98
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124817694
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
CID 125114228
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132892888
N-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-phenylethanamine
CID 124895635
3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
CID 124826120
3-butoxy-N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
CID 124822323
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 51370500
2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol
CID 124811393
(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 51684317
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66526021
2-[2-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethoxy]ethanol
CID 124786723
N-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-3-methoxypropan-1-amine
CID 124797378

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The IUPAC name of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride (CID 132910686) is N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride.
What is the SMILES notation for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The canonical SMILES for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride is Cl.c1ccc(Cn2nc(CNCCOc3ccccn3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The InChIKey is HIUHJRGLENMCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O.ClH/c1-3-9-19(10-4-1)18-28-26-21(23(27-28)20-11-5-2-6-12-20)17-24-15-16-29-22-13-7-8-14-25-22;/h1-14,24H,15-18H2;1H.
What are the key properties of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride has a molecular weight of 421.93 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride is sourced from PubChem (CID 132910686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).