7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one

C15H21FN4O — CID 123329443

IUPAC7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCC(C)Cn1c(C2(C)CCCN2)nn2c(F)ccc2c1=O
InChIInChI=1S/C15H21FN4O/c1-10(2)9-19-13(21)11-5-6-12(16)20(11)18-14(19)15(3)7-4-8-17-15/h5-6,10,17H,4,7-9H2,1-3H3
InChIKeyXOBNEXYKQDRZEX-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.89
Rot. Bonds3

About 7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one

7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 123329443) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID123329443
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCC(C)Cn1c(C2(C)CCCN2)nn2c(F)ccc2c1=O
InChIInChI=1S/C15H21FN4O/c1-10(2)9-19-13(21)11-5-6-12(16)20(11)18-14(19)15(3)7-4-8-17-15/h5-6,10,17H,4,7-9H2,1-3H3
InChIKeyXOBNEXYKQDRZEX-UHFFFAOYSA-N
XLogP1.89
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 123329443) is 7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one is CC(C)Cn1c(C2(C)CCCN2)nn2c(F)ccc2c1=O.
What is the InChIKey of 7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is XOBNEXYKQDRZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-10(2)9-19-13(21)11-5-6-12(16)20(11)18-14(19)15(3)7-4-8-17-15/h5-6,10,17H,4,7-9H2,1-3H3.
What are the key properties of 7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 292.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 123329443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).