2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C11H12FN3O — CID 136961332

IUPAC2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]c(C2CCCC2)nn2c(F)ccc12
InChIInChI=1S/C11H12FN3O/c12-9-6-5-8-11(16)13-10(14-15(8)9)7-3-1-2-4-7/h5-7H,1-4H2,(H,13,14,16)
InChIKeyDMJBVMRIUXUHNU-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.82
Rot. Bonds1

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

2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 136961332) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID136961332
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]c(C2CCCC2)nn2c(F)ccc12
InChIInChI=1S/C11H12FN3O/c12-9-6-5-8-11(16)13-10(14-15(8)9)7-3-1-2-4-7/h5-7H,1-4H2,(H,13,14,16)
InChIKeyDMJBVMRIUXUHNU-UHFFFAOYSA-N
XLogP1.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-3-(2-methylpropyl)-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 118445997
2-Cyclopentyl-7-fluoro-3-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 118445999
7-Fluoro-3-(2-methylpropyl)-2-pyrrolidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 118468929
7-Fluoro-3-(2-methylpropyl)-2-(2-methylpyrrolidin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 123329443
7-Fluoropyrrolo[2,1-F][1,2,4]triazin-4(3H)-one
CID 136621414
2-(4-fluorophenyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136633225
4-(6,7-difluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoic acid
CID 136930768
5-chloro-2-[(1S,3R)-3-fluorocyclopentyl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136961331
7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136961333
5-fluoro-2-[(1S,3R)-3-fluorocyclopentyl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136961335
2-tert-butyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049006
2-tert-butyl-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049020

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 136961332) is 2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is O=c1[nH]c(C2CCCC2)nn2c(F)ccc12.
What is the InChIKey of 2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is DMJBVMRIUXUHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-9-6-5-8-11(16)13-10(14-15(8)9)7-3-1-2-4-7/h5-7H,1-4H2,(H,13,14,16).
What are the key properties of 2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 221.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 136961332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).