2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione

C19H19N3O2 — CID 176893917

IUPAC2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione
SMILESCc1ccc(Cn2ncc(=O)n(Cc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-14-3-7-16(8-4-14)12-21-18(23)11-20-22(19(21)24)13-17-9-5-15(2)6-10-17/h3-11H,12-13H2,1-2H3
InChIKeyYCYJWTXPRBDIQK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.12
Rot. Bonds4

About 2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione

2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione (PubChem CID 176893917) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione
PubChem CID176893917
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione
SMILESCc1ccc(Cn2ncc(=O)n(Cc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-14-3-7-16(8-4-14)12-21-18(23)11-20-22(19(21)24)13-17-9-5-15(2)6-10-17/h3-11H,12-13H2,1-2H3
InChIKeyYCYJWTXPRBDIQK-UHFFFAOYSA-N
XLogP2.12
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Zinc00146377
CID 732243
2-(4-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]-1-propan-2-ylimidazolidin-4-one
CID 9593564
2-benzyl-5-[(E)-2-phenylethenyl]pyridazin-3-one
CID 44434576
2,4-dibenzyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 4436951
4-Benzhydryl-6-bromo-2-methyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 267924
2,4-Bisbenzyl-6-methyl-1,2,4-triazine-3,5-dione
CID 3991796
2,4-Bis[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-dione
CID 172229870
6-[Tert-butyl(dimethyl)silyl]-2,4-bis[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-dione
CID 172229872
2,4-Bis[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-3,5-dione
CID 172229877
6-[Tert-butyl(dimethyl)silyl]-2,4-bis[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-3,5-dione
CID 172229880
2,4-Bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione
CID 176893916
6-Methyl-2,4-bis[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-3,5-dione
CID 176893923

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione (CID 176893917) is 2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione is Cc1ccc(Cn2ncc(=O)n(Cc3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione?
The InChIKey is YCYJWTXPRBDIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-3-7-16(8-4-14)12-21-18(23)11-20-22(19(21)24)13-17-9-5-15(2)6-10-17/h3-11H,12-13H2,1-2H3.
What are the key properties of 2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione?
2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione has a molecular weight of 321.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 176893917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).