1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine

C22H28N6 — CID 109389548

IUPAC1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ncnn1C)NCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N6/c1-3-23-22(25-16-21-26-17-27-28(21)2)24-15-20(19-12-8-5-9-13-19)14-18-10-6-4-7-11-18/h4-13,17,20H,3,14-16H2,1-2H3,(H2,23,24,25)
InChIKeyFGXXVCOGLPUDDI-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.90
Rot. Bonds8

About 1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine

1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine (PubChem CID 109389548) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
PubChem CID109389548
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ncnn1C)NCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N6/c1-3-23-22(25-16-21-26-17-27-28(21)2)24-15-20(19-12-8-5-9-13-19)14-18-10-6-4-7-11-18/h4-13,17,20H,3,14-16H2,1-2H3,(H2,23,24,25)
InChIKeyFGXXVCOGLPUDDI-UHFFFAOYSA-N
XLogP2.90
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-diphenylpropyl)-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 109389720
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-diphenylpropyl)-3-ethylguanidine;hydroiodide
CID 109389612
1-ethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111988803
1-ethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111988802
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 109417614
1-(2,3-diphenylpropyl)-3-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 109389420
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111707876
1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111707050
1-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111708386
2-[(1-benzylpyrazol-4-yl)methyl]-1-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111708345
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111705274
3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide
CID 109389748

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine?
The IUPAC name of 1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine (CID 109389548) is 1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine is CCN/C(=N\Cc1ncnn1C)NCC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine?
The InChIKey is FGXXVCOGLPUDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-3-23-22(25-16-21-26-17-27-28(21)2)24-15-20(19-12-8-5-9-13-19)14-18-10-6-4-7-11-18/h4-13,17,20H,3,14-16H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine?
1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine has a molecular weight of 376.51 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine is sourced from PubChem (CID 109389548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).