methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate

C12H12N4O3 — CID 135760934

IUPACmethyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1nnc(C)c(=O)[nH]1
InChIInChI=1S/C12H12N4O3/c1-7-10(17)14-12(16-15-7)13-9-6-4-3-5-8(9)11(18)19-2/h3-6H,1-2H3,(H2,13,14,16,17)
InChIKeyAFGVZHBQJDHVJW-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.00
Rot. Bonds3

About methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate

methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate (PubChem CID 135760934) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate
PubChem CID135760934
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Namemethyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1nnc(C)c(=O)[nH]1
InChIInChI=1S/C12H12N4O3/c1-7-10(17)14-12(16-15-7)13-9-6-4-3-5-8(9)11(18)19-2/h3-6H,1-2H3,(H2,13,14,16,17)
InChIKeyAFGVZHBQJDHVJW-UHFFFAOYSA-N
XLogP1.00
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate with MolForge

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Related Compounds

methyl 2-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]benzoate
CID 136687593
ethyl 2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]amino]benzoate
CID 135561070
3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135449637
ethane;2-(2-methoxycarbonylanilino)benzoic acid
CID 54418297
ethane;methyl 2-(4-methylanilino)benzoate
CID 91139504
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate
CID 115872529
3-(2,5-dichloroanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135514995
methyl 2-[[2-[(6-methyl-7-oxo-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 135870189
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
methyl 2-hydrazinylbenzoate;hydrochloride
CID 71758151
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate?
The IUPAC name of methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate (CID 135760934) is methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate.
What is the SMILES notation for methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate?
The canonical SMILES for methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate is COC(=O)c1ccccc1Nc1nnc(C)c(=O)[nH]1.
What is the InChIKey of methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate?
The InChIKey is AFGVZHBQJDHVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-7-10(17)14-12(16-15-7)13-9-6-4-3-5-8(9)11(18)19-2/h3-6H,1-2H3,(H2,13,14,16,17).
What are the key properties of methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate?
methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate has a molecular weight of 260.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate is sourced from PubChem (CID 135760934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).