2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione

C18H15F2N3O2 — CID 176893916

IUPAC2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione
SMILESCc1nn(Cc2ccc(F)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H15F2N3O2/c1-12-17(24)22(10-13-2-6-15(19)7-3-13)18(25)23(21-12)11-14-4-8-16(20)9-5-14/h2-9H,10-11H2,1H3
InChIKeyBVLGDCJNWSCAPN-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.09
Rot. Bonds4

About 2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione

2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione (PubChem CID 176893916) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione
PubChem CID176893916
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione
SMILESCc1nn(Cc2ccc(F)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H15F2N3O2/c1-12-17(24)22(10-13-2-6-15(19)7-3-13)18(25)23(21-12)11-14-4-8-16(20)9-5-14/h2-9H,10-11H2,1H3
InChIKeyBVLGDCJNWSCAPN-UHFFFAOYSA-N
XLogP2.09
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dihydropyrazole, 7
CID 10286584
2-(4-fluorobenzyl)-6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 1471710
2-(4-fluorobenzyl)-6-styryl-3(2H)-pyridazinone
CID 5707555
2,4-dibenzyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 4436951
N-cyclohexyl-1-(3-fluorobenzyl)-N-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42161900
1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42161936
1-[3-(2,6-Difluoro-phenyl)-5-phenyl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 44401702
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
N,N-dibenzyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42161828
N-cyclohexyl-N-ethyl-1-(4-fluorobenzyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 44062364
N-benzyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide
CID 45838700

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione (CID 176893916) is 2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione is Cc1nn(Cc2ccc(F)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is BVLGDCJNWSCAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-12-17(24)22(10-13-2-6-15(19)7-3-13)18(25)23(21-12)11-14-4-8-16(20)9-5-14/h2-9H,10-11H2,1H3.
What are the key properties of 2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione?
2,4-bis[(4-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 343.33 g/mol, XLogP of 2.09, 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-fluorophenyl)methyl]-6-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 176893916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).