4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione

C21H20N4S — CID 134915083

IUPAC4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione
SMILESCN(C)c1ccc(C2N3C=CC=CC3=NC(=S)N2c2ccccc2)cc1
InChIInChI=1S/C21H20N4S/c1-23(2)17-13-11-16(12-14-17)20-24-15-7-6-10-19(24)22-21(26)25(20)18-8-4-3-5-9-18/h3-15,20H,1-2H3
InChIKeyZZUKTEBTHUFKQM-UHFFFAOYSA-N
MW360.49 g/mol
LogP4.34
Rot. Bonds3

About 4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione

4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione (PubChem CID 134915083) has the molecular formula C21H20N4S and a molecular weight of 360.49 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione
PubChem CID134915083
Molecular FormulaC21H20N4S
Molecular Weight360.49 g/mol
Exact Mass360.14
IUPAC Name4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione
SMILESCN(C)c1ccc(C2N3C=CC=CC3=NC(=S)N2c2ccccc2)cc1
InChIInChI=1S/C21H20N4S/c1-23(2)17-13-11-16(12-14-17)20-24-15-7-6-10-19(24)22-21(26)25(20)18-8-4-3-5-9-18/h3-15,20H,1-2H3
InChIKeyZZUKTEBTHUFKQM-UHFFFAOYSA-N
XLogP4.34
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-Phenyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 2794241
1-(4-Methylphenyl)-6-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
CID 24213637
3-(4-Methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
CID 763786
4,5-Diphenyl-2-piperidin-1-ylmethyl-2,4-dihydro-[1,2,4]triazole-3-thione
CID 567062
4-Amino-7-benzyl-3,5,6-triphenylpyrrolo[2,3-d]pyrimidine-2-thione
CID 46837322
4-Amino-3-ethyl-6,7-diphenylpyrrolo[2,3-d]pyrimidine-2-thione
CID 90670233
4-Amino-3-ethyl-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidine-2-thione
CID 90670235
4-[3-(N-ethylanilino)propylamino]-1H-quinazoline-2-thione
CID 4215619
2-[(Dimethylamino)methyl]-4,5-diphenyl-1,2,4-triazole-3-thione
CID 2402530
2-[[Di(propan-2-yl)amino]methyl]-4,5-diphenyl-1,2,4-triazole-3-thione
CID 2402692
2-[(2,6-Dimethylpiperidin-1-yl)methyl]-4,5-diphenyl-1,2,4-triazole-3-thione
CID 3593276
1-(4-Methylphenyl)-6-phenyl-1,3,5-triazine-2,4-dithione
CID 4845472

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione (CID 134915083) is 4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione is CN(C)c1ccc(C2N3C=CC=CC3=NC(=S)N2c2ccccc2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione?
The InChIKey is ZZUKTEBTHUFKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S/c1-23(2)17-13-11-16(12-14-17)20-24-15-7-6-10-19(24)22-21(26)25(20)18-8-4-3-5-9-18/h3-15,20H,1-2H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione?
4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione has a molecular weight of 360.49 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-3-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione is sourced from PubChem (CID 134915083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).