N-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline

C19H22N6 — CID 167146901

IUPACN-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline
SMILESCCN(Cc1cccc(C)c1)c1ccc(/N=N/c2nncn2C)cc1
InChIInChI=1S/C19H22N6/c1-4-25(13-16-7-5-6-15(2)12-16)18-10-8-17(9-11-18)21-23-19-22-20-14-24(19)3/h5-12,14H,4,13H2,1-3H3/b23-21+
InChIKeyPPGLUNZKKOWGBC-XTQSDGFTSA-N
MW334.43 g/mol
LogP4.57
Rot. Bonds6

About N-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline

N-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline (PubChem CID 167146901) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline
PubChem CID167146901
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline
SMILESCCN(Cc1cccc(C)c1)c1ccc(/N=N/c2nncn2C)cc1
InChIInChI=1S/C19H22N6/c1-4-25(13-16-7-5-6-15(2)12-16)18-10-8-17(9-11-18)21-23-19-22-20-14-24(19)3/h5-12,14H,4,13H2,1-3H3/b23-21+
InChIKeyPPGLUNZKKOWGBC-XTQSDGFTSA-N
XLogP4.57
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline
CID 22090322
zinc;bis(N-benzyl-4-[(1,2-dimethyl-1,2,4-triazol-1-ium-3-yl)diazenyl]-N-ethylaniline);tetrachloride
CID 138401822
4-[[4-[benzyl(ethyl)amino]phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N,N-diethylaniline
CID 58133446
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
4-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 6465462
4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol
CID 82981488
4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 63332236
N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
CID 153313292
4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646
N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429303
N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline
CID 63459009
2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 62363437

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline?
The IUPAC name of N-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline (CID 167146901) is N-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline.
What is the SMILES notation for N-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline?
The canonical SMILES for N-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline is CCN(Cc1cccc(C)c1)c1ccc(/N=N/c2nncn2C)cc1.
What is the InChIKey of N-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline?
The InChIKey is PPGLUNZKKOWGBC-XTQSDGFTSA-N. The full InChI is InChI=1S/C19H22N6/c1-4-25(13-16-7-5-6-15(2)12-16)18-10-8-17(9-11-18)21-23-19-22-20-14-24(19)3/h5-12,14H,4,13H2,1-3H3/b23-21+.
What are the key properties of N-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline?
N-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline has a molecular weight of 334.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline is sourced from PubChem (CID 167146901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).