N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine

C23H23N5 — CID 125114228

IUPACN-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESCc1ccc(Cn2nc(CNCc3ccccn3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H23N5/c1-18-10-12-19(13-11-18)17-28-26-22(16-24-15-21-9-5-6-14-25-21)23(27-28)20-7-3-2-4-8-20/h2-14,24H,15-17H2,1H3
InChIKeyBMGUZYMVIBOKQX-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.99
Rot. Bonds7

About N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine

N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine (PubChem CID 125114228) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
PubChem CID125114228
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC NameN-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESCc1ccc(Cn2nc(CNCc3ccccn3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H23N5/c1-18-10-12-19(13-11-18)17-28-26-22(16-24-15-21-9-5-6-14-25-21)23(27-28)20-7-3-2-4-8-20/h2-14,24H,15-17H2,1H3
InChIKeyBMGUZYMVIBOKQX-UHFFFAOYSA-N
XLogP3.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol
CID 124811393
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]cyclohexanamine
CID 124816332
3-imidazol-1-yl-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
CID 125115068
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
CID 124800161
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132910686
(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 51684317
(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
N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
CID 124895280
(1R)-1-(1-adamantyl)-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124817456

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine (CID 125114228) is N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine is Cc1ccc(Cn2nc(CNCc3ccccn3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is BMGUZYMVIBOKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-18-10-12-19(13-11-18)17-28-26-22(16-24-15-21-9-5-6-14-25-21)23(27-28)20-7-3-2-4-8-20/h2-14,24H,15-17H2,1H3.
What are the key properties of N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine?
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 369.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 125114228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).