ethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

C10H13N3O3 — CID 73015623

IUPACethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cn2c(c1C)C(=O)NCN2
InChIInChI=1S/C10H13N3O3/c1-3-16-10(15)7-4-13-8(6(7)2)9(14)11-5-12-13/h4,12H,3,5H2,1-2H3,(H,11,14)
InChIKeySOLSBKRWUWHVBA-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.22
Rot. Bonds2

About ethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

ethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 73015623) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID73015623
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Nameethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cn2c(c1C)C(=O)NCN2
InChIInChI=1S/C10H13N3O3/c1-3-16-10(15)7-4-13-8(6(7)2)9(14)11-5-12-13/h4,12H,3,5H2,1-2H3,(H,11,14)
InChIKeySOLSBKRWUWHVBA-UHFFFAOYSA-N
XLogP0.22
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-Dimethylbutan-2-yl 8-methyl-1-oxo-2-propyl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 44408471
3,3-Dimethylbutan-2-yl 2-(3-acetamidopropyl)-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 44408564
3,3-Dimethylbutan-2-yl 2-[3-(ethylcarbamoylamino)propyl]-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 44408568
Ethyl 4-hydroxy-5-isopropylpyrrolo[1,2-F][1,2,4]triazine-6-carboxylate
CID 135410235
Methyl 5-methyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 135510278
3,3-dimethylbutan-2-yl 8-methyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylate
CID 44408467
3,3-Dimethylbutan-2-yl 2-(3-aminopropyl)-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 44408606
Ethyl 1,4-dihydro-5-methyl-4-oxopyrrolo(2,1-f)(1,2,4)triazine-6-carboxylate
CID 135438448
methyl 2-(4-bromophenyl)-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 134947790
Ethyl 3-methyl-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate
CID 323307
Ethyl 5-carbamoyl-4-methyl-1H-pyrrole-3-carboxylate
CID 53386745
Ethyl 2,4-dioxo-1,2,3,4-tetrahydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 56924578

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of ethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 73015623) is ethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is CCOC(=O)c1cn2c(c1C)C(=O)NCN2.
What is the InChIKey of ethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is SOLSBKRWUWHVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-3-16-10(15)7-4-13-8(6(7)2)9(14)11-5-12-13/h4,12H,3,5H2,1-2H3,(H,11,14).
What are the key properties of ethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
ethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 73015623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).