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

C10H12FN3O — CID 145287045

IUPAC2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCC(C)c1nn2c(F)ccc2c(=O)[nH]1
InChIInChI=1S/C10H12FN3O/c1-3-6(2)9-12-10(15)7-4-5-8(11)14(7)13-9/h4-6H,3H2,1-2H3,(H,12,13,15)
InChIKeyNOHVBAZBHXUZRK-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.68
Rot. Bonds2

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

2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 145287045) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID145287045
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCC(C)c1nn2c(F)ccc2c(=O)[nH]1
InChIInChI=1S/C10H12FN3O/c1-3-6(2)9-12-10(15)7-4-5-8(11)14(7)13-9/h4-6H,3H2,1-2H3,(H,12,13,15)
InChIKeyNOHVBAZBHXUZRK-UHFFFAOYSA-N
XLogP1.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 145287045) is 2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is CCC(C)c1nn2c(F)ccc2c(=O)[nH]1.
What is the InChIKey of 2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is NOHVBAZBHXUZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-3-6(2)9-12-10(15)7-4-5-8(11)14(7)13-9/h4-6H,3H2,1-2H3,(H,12,13,15).
What are the key properties of 2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 209.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-7-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 145287045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).