ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate

C11H10N6O3 — CID 137049407

IUPACethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2nn3cccc3c(=O)[nH]2)nn1
InChIInChI=1S/C11H10N6O3/c1-2-20-10(19)7-6-17(15-13-7)11-12-9(18)8-4-3-5-16(8)14-11/h3-6H,2H2,1H3,(H,12,14,18)
InChIKeyDYLXPGWGAYSIJH-UHFFFAOYSA-N
MW274.24 g/mol
LogP-0.22
Rot. Bonds3

About ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate

ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate (PubChem CID 137049407) has the molecular formula C11H10N6O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate
PubChem CID137049407
Molecular FormulaC11H10N6O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Nameethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2nn3cccc3c(=O)[nH]2)nn1
InChIInChI=1S/C11H10N6O3/c1-2-20-10(19)7-6-17(15-13-7)11-12-9(18)8-4-3-5-16(8)14-11/h3-6H,2H2,1H3,(H,12,14,18)
InChIKeyDYLXPGWGAYSIJH-UHFFFAOYSA-N
XLogP-0.22
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate with MolForge

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Related Compounds

1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylic acid
CID 137049310
ethyl 1-(2,6-dimethylphenyl)triazole-4-carboxylate
CID 122241147
ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate
CID 170452736
ethyl 1-(4-methoxycarbonylphenyl)triazole-4-carboxylate
CID 122241318
ethyl 1-(2-fluoro-3-methylphenyl)triazole-4-carboxylate
CID 165488851
ethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxylate
CID 139487972
ethyl 1-(3-fluoro-2-methylphenyl)triazole-4-carboxylate
CID 122241161
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
ethyl 1-(3,4-dichlorophenyl)triazole-4-carboxylate
CID 122241367
5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl chloride
CID 137128054
ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate
CID 59539012
ethyl triazolo[1,5-a]pyridine-3-carboxylate
CID 13111408

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate (CID 137049407) is ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate is CCOC(=O)c1cn(-c2nn3cccc3c(=O)[nH]2)nn1.
What is the InChIKey of ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate?
The InChIKey is DYLXPGWGAYSIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O3/c1-2-20-10(19)7-6-17(15-13-7)11-12-9(18)8-4-3-5-16(8)14-11/h3-6H,2H2,1H3,(H,12,14,18).
What are the key properties of ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate?
ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate has a molecular weight of 274.24 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate is sourced from PubChem (CID 137049407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).