4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid

C10H10FN3O3 — CID 136930840

IUPAC4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid
SMILESO=C(O)CCCc1nn2cc(F)cc2c(=O)[nH]1
InChIInChI=1S/C10H10FN3O3/c11-6-4-7-10(17)12-8(13-14(7)5-6)2-1-3-9(15)16/h4-5H,1-3H2,(H,15,16)(H,12,13,17)
InChIKeyPUFRNKYYKZDHEU-UHFFFAOYSA-N
MW239.21 g/mol
LogP0.57
Rot. Bonds4

About 4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid

4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid (PubChem CID 136930840) has the molecular formula C10H10FN3O3 and a molecular weight of 239.21 g/mol. Its IUPAC name is 4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid
PubChem CID136930840
Molecular FormulaC10H10FN3O3
Molecular Weight239.21 g/mol
Exact Mass239.07
IUPAC Name4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid
SMILESO=C(O)CCCc1nn2cc(F)cc2c(=O)[nH]1
InChIInChI=1S/C10H10FN3O3/c11-6-4-7-10(17)12-8(13-14(7)5-6)2-1-3-9(15)16/h4-5H,1-3H2,(H,15,16)(H,12,13,17)
InChIKeyPUFRNKYYKZDHEU-UHFFFAOYSA-N
XLogP0.57
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135488218
2-Chloro-1H,4H-pyrrolo(2,1-f)(1,2,4)triazin-4-one
CID 135742087
2-{1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}acetic acid
CID 12585367
N-(2-fluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514437
(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetic acid
CID 6625489
N-methyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 45106475
N-(4-fluorophenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514438
4-(6-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid
CID 118498293
4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid
CID 118498347
2-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135997975
4-(6,7-difluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid
CID 136930768
5-fluoro-2-[(1S,3R)-3-fluorocyclopentyl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136961335

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid?
The IUPAC name of 4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid (CID 136930840) is 4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid.
What is the SMILES notation for 4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid?
The canonical SMILES for 4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid is O=C(O)CCCc1nn2cc(F)cc2c(=O)[nH]1.
What is the InChIKey of 4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid?
The InChIKey is PUFRNKYYKZDHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3/c11-6-4-7-10(17)12-8(13-14(7)5-6)2-1-3-9(15)16/h4-5H,1-3H2,(H,15,16)(H,12,13,17).
What are the key properties of 4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid?
4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid has a molecular weight of 239.21 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid is sourced from PubChem (CID 136930840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).