2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol

C24H22N4O — CID 135419166

IUPAC2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
SMILESCN(C)c1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H22N4O/c1-27(2)19-15-12-18(13-16-19)14-17-23-25-24(21-10-6-7-11-22(21)29)28(26-23)20-8-4-3-5-9-20/h3-17,29H,1-2H3/b17-14+
InChIKeyYHALUMYXIPMSON-SAPNQHFASA-N
MW382.47 g/mol
LogP4.88
Rot. Bonds5

About 2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol

2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol (PubChem CID 135419166) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
PubChem CID135419166
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
SMILESCN(C)c1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H22N4O/c1-27(2)19-15-12-18(13-16-19)14-17-23-25-24(21-10-6-7-11-22(21)29)28(26-23)20-8-4-3-5-9-20/h3-17,29H,1-2H3/b17-14+
InChIKeyYHALUMYXIPMSON-SAPNQHFASA-N
XLogP4.88
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

2-{3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol
CID 135437607
2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol
CID 443276
2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 2305193
3-[3-(4-Tert-butylphenyl)-5-(dimethylamino)-1,2,4-triazol-4-yl]phenol
CID 10308746
2-(3-(biphenyl-4-yl)-5-methyl-4H-1,2,4-triazol-4-yl)phenol
CID 10958392
3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl)-1H-1,2,4-triazol-1-yl)phenol
CID 11957735
3-(2-(3-tert-Butylphenyl)-5-((dimethylamino)methyl)-2H-1,2,4-triazol-3-yl)phenol
CID 24802609
3-(2-(4-tert-Butylphenyl)-5-((dimethylamino)methyl)-2H-1,2,4-triazol-3-yl)phenol
CID 25000426
3-(5-(3-tert-Butylphenyl)-3-((dimethylamino)methyl)-1H-1,2,4-triazol-1-yl)phenol
CID 46226512
2-(3-ethyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 895860
3-[3-(Dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol
CID 11537712
3-(3-(4-tert-butylphenyl)-5-((dimethylamino)methyl)-4H-1,2,4-triazol-4-yl)phenol
CID 11544824

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol (CID 135419166) is 2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol is CN(C)c1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The InChIKey is YHALUMYXIPMSON-SAPNQHFASA-N. The full InChI is InChI=1S/C24H22N4O/c1-27(2)19-15-12-18(13-16-19)14-17-23-25-24(21-10-6-7-11-22(21)29)28(26-23)20-8-4-3-5-9-20/h3-17,29H,1-2H3/b17-14+.
What are the key properties of 2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol has a molecular weight of 382.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135419166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).