5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one

C16H14F2N4O — CID 123264331

IUPAC5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1c2c(F)ccn2nc(C2CC(F)CN2)n1-c1ccccc1
InChIInChI=1S/C16H14F2N4O/c17-10-8-13(19-9-10)15-20-21-7-6-12(18)14(21)16(23)22(15)11-4-2-1-3-5-11/h1-7,10,13,19H,8-9H2
InChIKeyHRSFNHAIMVVPIN-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.00
Rot. Bonds2

About 5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one

5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 123264331) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID123264331
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1c2c(F)ccn2nc(C2CC(F)CN2)n1-c1ccccc1
InChIInChI=1S/C16H14F2N4O/c17-10-8-13(19-9-10)15-20-21-7-6-12(18)14(21)16(23)22(15)11-4-2-1-3-5-11/h1-7,10,13,19H,8-9H2
InChIKeyHRSFNHAIMVVPIN-UHFFFAOYSA-N
XLogP2.00
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one (CID 123264331) is 5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one is O=c1c2c(F)ccn2nc(C2CC(F)CN2)n1-c1ccccc1.
What is the InChIKey of 5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is HRSFNHAIMVVPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c17-10-8-13(19-9-10)15-20-21-7-6-12(18)14(21)16(23)22(15)11-4-2-1-3-5-11/h1-7,10,13,19H,8-9H2.
What are the key properties of 5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 316.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluoropyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 123264331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).