N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine

C24H24N4 — CID 124800161

IUPACN-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
SMILESCc1cccc(Cn2nc(CNCc3ccccc3)c(-c3ccccc3)n2)c1
InChIInChI=1S/C24H24N4/c1-19-9-8-12-21(15-19)18-28-26-23(17-25-16-20-10-4-2-5-11-20)24(27-28)22-13-6-3-7-14-22/h2-15,25H,16-18H2,1H3
InChIKeySFLOYODOLCJOOS-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.59
Rot. Bonds7

About N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine

N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine (PubChem CID 124800161) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
PubChem CID124800161
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC NameN-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
SMILESCc1cccc(Cn2nc(CNCc3ccccc3)c(-c3ccccc3)n2)c1
InChIInChI=1S/C24H24N4/c1-19-9-8-12-21(15-19)18-28-26-23(17-25-16-20-10-4-2-5-11-20)24(27-28)22-13-6-3-7-14-22/h2-15,25H,16-18H2,1H3
InChIKeySFLOYODOLCJOOS-UHFFFAOYSA-N
XLogP4.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
CID 124801639
N-methyl-N'-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propane-1,3-diamine
CID 125114510
N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
CID 124895280
5-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]pentan-1-ol
CID 124800402
N',N'-dibutyl-N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propane-1,3-diamine
CID 125114768
N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124797324
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]methanamine
CID 125114753
2-(1H-indol-3-yl)-N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 125115155
N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 125115087
(1S)-1-(1-adamantyl)-N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124795401
2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol
CID 124811393
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
CID 125114228

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine (CID 124800161) is N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine is Cc1cccc(Cn2nc(CNCc3ccccc3)c(-c3ccccc3)n2)c1.
What is the InChIKey of N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine?
The InChIKey is SFLOYODOLCJOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-19-9-8-12-21(15-19)18-28-26-23(17-25-16-20-10-4-2-5-11-20)24(27-28)22-13-6-3-7-14-22/h2-15,25H,16-18H2,1H3.
What are the key properties of N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine?
N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine has a molecular weight of 368.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 124800161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).