2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C8H8FN3O — CID 137128225

IUPAC2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCc1nn2cc(F)cc2c(=O)[nH]1
InChIInChI=1S/C8H8FN3O/c1-2-7-10-8(13)6-3-5(9)4-12(6)11-7/h3-4H,2H2,1H3,(H,10,11,13)
InChIKeyWMHNVIRMRBDYIG-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.72
Rot. Bonds1

About 2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137128225) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137128225
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC Name2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCc1nn2cc(F)cc2c(=O)[nH]1
InChIInChI=1S/C8H8FN3O/c1-2-7-10-8(13)6-3-5(9)4-12(6)11-7/h3-4H,2H2,1H3,(H,10,11,13)
InChIKeyWMHNVIRMRBDYIG-UHFFFAOYSA-N
XLogP0.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 3240920
Peramine
CID 114748
4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 22514403
N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
CID 22514504
3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135488218
N-[(3-Fluorophenyl)methyl]-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}acetamide
CID 22514513
2-Chloro-1H,4H-pyrrolo(2,1-f)(1,2,4)triazin-4-one
CID 135742087
2-Aminopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
CID 135410170
Peramine cation
CID 91820525
2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 3238990
N-[3-(3,5-Dimethylpiperidin-1-YL)propyl]-2-{1-oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}acetamide
CID 6620367
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 22514486

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137128225) is 2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is CCc1nn2cc(F)cc2c(=O)[nH]1.
What is the InChIKey of 2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is WMHNVIRMRBDYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O/c1-2-7-10-8(13)6-3-5(9)4-12(6)11-7/h3-4H,2H2,1H3,(H,10,11,13).
What are the key properties of 2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 181.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137128225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).