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

C22H20N4O — CID 11537712

IUPAC3-[3-(dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol
SMILESCN(C)c1nnc(-c2cccc(-c3ccccc3)c2)n1-c1cccc(O)c1
InChIInChI=1S/C22H20N4O/c1-25(2)22-24-23-21(26(22)19-12-7-13-20(27)15-19)18-11-6-10-17(14-18)16-8-4-3-5-9-16/h3-15,27H,1-2H3
InChIKeyLUUHHLNGWSPYFF-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.37
Rot. Bonds4

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

3-[3-(dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol (PubChem CID 11537712) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol.

Molecular Properties

Compound Name3-[3-(dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol
PubChem CID11537712
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-[3-(dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol
SMILESCN(C)c1nnc(-c2cccc(-c3ccccc3)c2)n1-c1cccc(O)c1
InChIInChI=1S/C22H20N4O/c1-25(2)22-24-23-21(26(22)19-12-7-13-20(27)15-19)18-11-6-10-17(14-18)16-8-4-3-5-9-16/h3-15,27H,1-2H3
InChIKeyLUUHHLNGWSPYFF-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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
The IUPAC name of 3-[3-(dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol (CID 11537712) is 3-[3-(dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol.
What is the SMILES notation for 3-[3-(dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
The canonical SMILES for 3-[3-(dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol is CN(C)c1nnc(-c2cccc(-c3ccccc3)c2)n1-c1cccc(O)c1.
What is the InChIKey of 3-[3-(dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
The InChIKey is LUUHHLNGWSPYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-25(2)22-24-23-21(26(22)19-12-7-13-20(27)15-19)18-11-6-10-17(14-18)16-8-4-3-5-9-16/h3-15,27H,1-2H3.
What are the key properties of 3-[3-(dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
3-[3-(dimethylamino)-5-(3-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-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol is sourced from PubChem (CID 11537712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).