2-benzyl-6-methyl-1,2,4-triazine-3,5-dione

C11H11N3O2 — CID 4074064

IUPAC2-benzyl-6-methyl-1,2,4-triazine-3,5-dione
SMILESCc1nn(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C11H11N3O2/c1-8-10(15)12-11(16)14(13-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,15,16)
InChIKeyJQRLVJUJBNDOAZ-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.29
Rot. Bonds2

About 2-benzyl-6-methyl-1,2,4-triazine-3,5-dione

2-benzyl-6-methyl-1,2,4-triazine-3,5-dione (PubChem CID 4074064) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-benzyl-6-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-benzyl-6-methyl-1,2,4-triazine-3,5-dione
PubChem CID4074064
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-benzyl-6-methyl-1,2,4-triazine-3,5-dione
SMILESCc1nn(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C11H11N3O2/c1-8-10(15)12-11(16)14(13-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,15,16)
InChIKeyJQRLVJUJBNDOAZ-UHFFFAOYSA-N
XLogP0.29
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Zinc00146377
CID 732243
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CID 2747682
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CID 10489168
4-Amino-3-(benzylamino)-6-methyl-1,2,4-triazin-5-one
CID 753531
2,4-Bisbenzyl-6-methyl-1,2,4-triazine-3,5-dione
CID 3991796
6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione
CID 146018694
N-benzyl-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanamide
CID 4103758
1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 7916761
3-(benzylamino)-6-methyl-1,2,4-triazin-5(4H)-one
CID 135453550
2-Benzyl-5-ethyl-2,4-dihydro-3h-1,2,4-triazol-3-one
CID 169502355
[(S)-phenyl-(3,4,4-trimethyl-5-oxopyrazol-1-yl)methyl]urea
CID 30182764
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CID 47099979

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-benzyl-6-methyl-1,2,4-triazine-3,5-dione (CID 4074064) is 2-benzyl-6-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-benzyl-6-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-benzyl-6-methyl-1,2,4-triazine-3,5-dione is Cc1nn(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 2-benzyl-6-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is JQRLVJUJBNDOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-10(15)12-11(16)14(13-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,15,16).
What are the key properties of 2-benzyl-6-methyl-1,2,4-triazine-3,5-dione?
2-benzyl-6-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 217.23 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 4074064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).