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

C11H11N3O2 — CID 119089149

IUPAC2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione
SMILESCc1ccccc1Cn1ncc(=O)[nH]c1=O
InChIInChI=1S/C11H11N3O2/c1-8-4-2-3-5-9(8)7-14-11(16)13-10(15)6-12-14/h2-6H,7H2,1H3,(H,13,15,16)
InChIKeyBCIUDAIELMEXGV-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.29
Rot. Bonds2

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

2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione (PubChem CID 119089149) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione
PubChem CID119089149
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione
SMILESCc1ccccc1Cn1ncc(=O)[nH]c1=O
InChIInChI=1S/C11H11N3O2/c1-8-4-2-3-5-9(8)7-14-11(16)13-10(15)6-12-14/h2-6H,7H2,1H3,(H,13,15,16)
InChIKeyBCIUDAIELMEXGV-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

2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione
CID 71390982
1-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[d]pyrazol-4-one
CID 107384235
[5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115069601
4-methyl-2-[(2-methylphenyl)methyl]-1,2,4-triazol-3-one
CID 115774450
[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 66437469
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
1-methyl-N-[(2-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849749
N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 63272233
4-methyl-2-[(2-methylphenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-one
CID 121116951
2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide
CID 67935374
5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine
CID 79542133

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione (CID 119089149) is 2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione is Cc1ccccc1Cn1ncc(=O)[nH]c1=O.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione?
The InChIKey is BCIUDAIELMEXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-4-2-3-5-9(8)7-14-11(16)13-10(15)6-12-14/h2-6H,7H2,1H3,(H,13,15,16).
What are the key properties of 2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione?
2-[(2-methylphenyl)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-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 119089149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).