1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine

C23H20N4 — CID 172619651

IUPAC1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine
SMILESC=Cc1ccc(Cn2nc(Nc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4/c1-2-18-13-15-19(16-14-18)17-27-22(20-9-5-3-6-10-20)25-23(26-27)24-21-11-7-4-8-12-21/h2-16H,1,17H2,(H,24,26)
InChIKeyPCHWYCORKLAFGP-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.38
Rot. Bonds6

About 1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine

1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine (PubChem CID 172619651) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine
PubChem CID172619651
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine
SMILESC=Cc1ccc(Cn2nc(Nc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4/c1-2-18-13-15-19(16-14-18)17-27-22(20-9-5-3-6-10-20)25-23(26-27)24-21-11-7-4-8-12-21/h2-16H,1,17H2,(H,24,26)
InChIKeyPCHWYCORKLAFGP-UHFFFAOYSA-N
XLogP5.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine
CID 172619632
5-bromo-1-[(4-ethenylphenyl)methyl]-3-phenyl-1,2,4-triazole
CID 172619561
5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine
CID 172619728
4-ethenyl-N-phenylaniline
CID 21478062
5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine
CID 172619800
2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole
CID 172619805
3-[(4-ethenylphenyl)methoxy]-N-phenylaniline
CID 22052676
3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole
CID 17025237
1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole
CID 19586760
2-(4-ethenylphenyl)-3,5,6-triphenylpyrazine
CID 58151664
1-pentyl-N-phenyl-5-prop-2-enyl-1,2,4-triazol-3-amine
CID 68641608
4-chloro-1-[(4-ethenylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
CID 17025443

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine (CID 172619651) is 1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine is C=Cc1ccc(Cn2nc(Nc3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine?
The InChIKey is PCHWYCORKLAFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-2-18-13-15-19(16-14-18)17-27-22(20-9-5-3-6-10-20)25-23(26-27)24-21-11-7-4-8-12-21/h2-16H,1,17H2,(H,24,26).
What are the key properties of 1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine?
1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine has a molecular weight of 352.44 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 172619651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).