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

C15H20FN3O — CID 118445999

IUPAC2-cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCC(C)Cn1c(C2CCCC2)nn2c(F)ccc2c1=O
InChIInChI=1S/C15H20FN3O/c1-10(2)9-18-14(11-5-3-4-6-11)17-19-12(15(18)20)7-8-13(19)16/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyCATHBDWRPZCSDA-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.95
Rot. Bonds3

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

2-cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 118445999) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID118445999
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCC(C)Cn1c(C2CCCC2)nn2c(F)ccc2c1=O
InChIInChI=1S/C15H20FN3O/c1-10(2)9-18-14(11-5-3-4-6-11)17-19-12(15(18)20)7-8-13(19)16/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyCATHBDWRPZCSDA-UHFFFAOYSA-N
XLogP2.95
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 118445999) is 2-cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one is CC(C)Cn1c(C2CCCC2)nn2c(F)ccc2c1=O.
What is the InChIKey of 2-cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is CATHBDWRPZCSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-10(2)9-18-14(11-5-3-4-6-11)17-19-12(15(18)20)7-8-13(19)16/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 2-cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 277.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 118445999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).