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

C9H11N3O3 — CID 76845759

IUPACethyl 4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cc2n(c1)NCNC2=O
InChIInChI=1S/C9H11N3O3/c1-2-15-9(14)6-3-7-8(13)10-5-11-12(7)4-6/h3-4,11H,2,5H2,1H3,(H,10,13)
InChIKeyYVLFEGUGUHXYHG-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.09
Rot. Bonds2

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

ethyl 4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 76845759) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is ethyl 4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID76845759
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Nameethyl 4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cc2n(c1)NCNC2=O
InChIInChI=1S/C9H11N3O3/c1-2-15-9(14)6-3-7-8(13)10-5-11-12(7)4-6/h3-4,11H,2,5H2,1H3,(H,10,13)
InChIKeyYVLFEGUGUHXYHG-UHFFFAOYSA-N
XLogP-0.09
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
ethyl 1H,2H,3H,4H-pyrrolo(1,2-a)pyrazine-7-carboxylate hydrochloride
CID 133080643
ethyl 1-oxo-1H,2H-pyrrolo(1,2-a)pyrazine-7-carboxylate
CID 165753287
Ethyl 1,4-dihydro-5-methyl-4-oxopyrrolo(2,1-f)(1,2,4)triazine-6-carboxylate
CID 135438448
Ethyl 1,4-dihydro-4-oxopyrrolo[2,1-f][1,2,4]triazine-5-carboxylate
CID 135742068
Ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 58465607
ethyl 2-[2-amino-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 171529752
methyl 2-(4-bromophenyl)-4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 134947790
Ethyl 1-(carbamoylamino)-5-methylpyrrole-3-carboxylate
CID 21678708
ethyl 3-isocyano-4-oxo-1H-pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 21025096
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 4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of ethyl 4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 76845759) is ethyl 4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for ethyl 4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for ethyl 4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is CCOC(=O)c1cc2n(c1)NCNC2=O.
What is the InChIKey of ethyl 4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is YVLFEGUGUHXYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-2-15-9(14)6-3-7-8(13)10-5-11-12(7)4-6/h3-4,11H,2,5H2,1H3,(H,10,13).
What are the key properties of ethyl 4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
ethyl 4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 209.20 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-2,3-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 76845759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).