3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine

C21H25N3 — CID 134916077

IUPAC3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine
SMILESCc1ccc(C2=CC(c3ccc(C)cc3)N(C(C)(C)C)N=N2)cc1
InChIInChI=1S/C21H25N3/c1-15-6-10-17(11-7-15)19-14-20(18-12-8-16(2)9-13-18)24(23-22-19)21(3,4)5/h6-14,20H,1-5H3
InChIKeyXBBWHZYJQRIERH-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.87
Rot. Bonds2

About 3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine

3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine (PubChem CID 134916077) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine.

Molecular Properties

Compound Name3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine
PubChem CID134916077
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine
SMILESCc1ccc(C2=CC(c3ccc(C)cc3)N(C(C)(C)C)N=N2)cc1
InChIInChI=1S/C21H25N3/c1-15-6-10-17(11-7-15)19-14-20(18-12-8-16(2)9-13-18)24(23-22-19)21(3,4)5/h6-14,20H,1-5H3
InChIKeyXBBWHZYJQRIERH-UHFFFAOYSA-N
XLogP5.87
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine
CID 134916199
7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine
CID 139221952
5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 4066312
6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine
CID 134916261
2-tert-butyl-4-(4-methylphenyl)azete;ethane
CID 170786371
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine
CID 102126195
5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23944728
1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene
CID 123709825
3-(4-tert-butylphenyl)-6,7-bis(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3296722
4-(4-methylphenyl)-1,2,4-triazole-3,5-dione
CID 2760671
4,5-bis(4-methylphenyl)-1,5-dihydroimidazole-2-thione
CID 25220246
2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 159177152

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine?
The IUPAC name of 3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine (CID 134916077) is 3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine.
What is the SMILES notation for 3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine?
The canonical SMILES for 3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine is Cc1ccc(C2=CC(c3ccc(C)cc3)N(C(C)(C)C)N=N2)cc1.
What is the InChIKey of 3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine?
The InChIKey is XBBWHZYJQRIERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-15-6-10-17(11-7-15)19-14-20(18-12-8-16(2)9-13-18)24(23-22-19)21(3,4)5/h6-14,20H,1-5H3.
What are the key properties of 3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine?
3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine has a molecular weight of 319.45 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine is sourced from PubChem (CID 134916077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).