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

C10H11N3O3 — CID 135740095

IUPACmethyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCc1c(C(=O)OC)cn2nc[nH]c(=O)c12
InChIInChI=1S/C10H11N3O3/c1-3-6-7(10(15)16-2)4-13-8(6)9(14)11-5-12-13/h4-5H,3H2,1-2H3,(H,11,12,14)
InChIKeyQVIPAXSQCPXHRF-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.37
Rot. Bonds2

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

methyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 135740095) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is methyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID135740095
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Namemethyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCc1c(C(=O)OC)cn2nc[nH]c(=O)c12
InChIInChI=1S/C10H11N3O3/c1-3-6-7(10(15)16-2)4-13-8(6)9(14)11-5-12-13/h4-5H,3H2,1-2H3,(H,11,12,14)
InChIKeyQVIPAXSQCPXHRF-UHFFFAOYSA-N
XLogP0.37
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-Dimethylbutan-2-yl 2-(3-acetamidopropyl)-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 44408564
[(2S)-3,3-dimethylbutan-2-yl] 5-(2-methoxyethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 44430063
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
US10202378, Example 53
CID 122452533
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-oxo-1H,2H-pyrrolo(1,2-a)pyrazine-7-carboxylate
CID 165753287
methyl 3-iodo-1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 177799292
ethyl 6,8-dimethyl-1-oxo-2H-pyrrolo[1,2-d]1,2,4-triazine-7-carboxylate
CID 959491
methyl 4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
CID 135409708
Ethyl 1,4-dihydro-5-methyl-4-oxopyrrolo(2,1-f)(1,2,4)triazine-6-carboxylate
CID 135438448

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of methyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 135740095) is methyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for methyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for methyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is CCc1c(C(=O)OC)cn2nc[nH]c(=O)c12.
What is the InChIKey of methyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is QVIPAXSQCPXHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-6-7(10(15)16-2)4-13-8(6)9(14)11-5-12-13/h4-5H,3H2,1-2H3,(H,11,12,14).
What are the key properties of methyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
methyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 221.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 135740095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).