N-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine

C21H19N5 — CID 170147613

IUPACN-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine
SMILESCNc1n[nH]nc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19N5/c1-22-21-20(23-25-24-21)16-12-14-19(15-13-16)26(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3,(H2,22,23,24,25)
InChIKeyJGMDZPJYUVBDLI-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.98
Rot. Bonds5

About N-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine

N-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine (PubChem CID 170147613) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine.

Molecular Properties

Compound NameN-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine
PubChem CID170147613
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC NameN-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine
SMILESCNc1n[nH]nc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19N5/c1-22-21-20(23-25-24-21)16-12-14-19(15-13-16)26(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3,(H2,22,23,24,25)
InChIKeyJGMDZPJYUVBDLI-UHFFFAOYSA-N
XLogP4.98
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone
CID 155934303
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
4-[4-[2,6-bis[4-(N-phenylanilino)phenyl]-3-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrazino[2,3-b]pyrazin-7-yl]phenyl]-N,N-diphenylaniline
CID 122679799
5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide
CID 169402424
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine?
The IUPAC name of N-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine (CID 170147613) is N-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine.
What is the SMILES notation for N-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine?
The canonical SMILES for N-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine is CNc1n[nH]nc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine?
The InChIKey is JGMDZPJYUVBDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-22-21-20(23-25-24-21)16-12-14-19(15-13-16)26(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3,(H2,22,23,24,25).
What are the key properties of N-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine?
N-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine has a molecular weight of 341.42 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine is sourced from PubChem (CID 170147613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).