3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol

C22H20N4O — CID 11602862

IUPAC3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol
SMILESCN(C)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(O)c1
InChIInChI=1S/C22H20N4O/c1-25(2)22-24-23-21(26(22)19-9-6-10-20(27)15-19)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-15,27H,1-2H3
InChIKeyGYCSOBHVCMWJAF-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.37
Rot. Bonds4

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

3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol (PubChem CID 11602862) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol.

Molecular Properties

Compound Name3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol
PubChem CID11602862
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol
SMILESCN(C)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(O)c1
InChIInChI=1S/C22H20N4O/c1-25(2)22-24-23-21(26(22)19-9-6-10-20(27)15-19)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-15,27H,1-2H3
InChIKeyGYCSOBHVCMWJAF-UHFFFAOYSA-N
XLogP4.37
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-Biphenyl)-(1,2,4-triazol-4-yl)]-3-phenol
CID 11580459
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
1-{3-[3-(Tert-butyl) phenyl]-(1,2,4-triazol-4-yl)}-3-phenol
CID 10214859
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
1-[3-(4-Biphenyl)-(1,2,4-triazol-4-yl)]-3-phenol
CID 11645313
2-(3-ethyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 895860

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
The IUPAC name of 3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol (CID 11602862) is 3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol.
What is the SMILES notation for 3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
The canonical SMILES for 3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol is CN(C)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(O)c1.
What is the InChIKey of 3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
The InChIKey is GYCSOBHVCMWJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-25(2)22-24-23-21(26(22)19-9-6-10-20(27)15-19)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-15,27H,1-2H3.
What are the key properties of 3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol has a molecular weight of 356.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol is sourced from PubChem (CID 11602862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).