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

C9H10FN3O — CID 137128183

IUPAC7-fluoro-2-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCC(C)c1nn2c(F)ccc2c(=O)[nH]1
InChIInChI=1S/C9H10FN3O/c1-5(2)8-11-9(14)6-3-4-7(10)13(6)12-8/h3-5H,1-2H3,(H,11,12,14)
InChIKeyOOMFCIQXRRKHQA-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.29
Rot. Bonds1

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

7-fluoro-2-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137128183) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is 7-fluoro-2-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-fluoro-2-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137128183
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name7-fluoro-2-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCC(C)c1nn2c(F)ccc2c(=O)[nH]1
InChIInChI=1S/C9H10FN3O/c1-5(2)8-11-9(14)6-3-4-7(10)13(6)12-8/h3-5H,1-2H3,(H,11,12,14)
InChIKeyOOMFCIQXRRKHQA-UHFFFAOYSA-N
XLogP1.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-fluoro-2-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137128183) is 7-fluoro-2-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-fluoro-2-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-fluoro-2-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is CC(C)c1nn2c(F)ccc2c(=O)[nH]1.
What is the InChIKey of 7-fluoro-2-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is OOMFCIQXRRKHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O/c1-5(2)8-11-9(14)6-3-4-7(10)13(6)12-8/h3-5H,1-2H3,(H,11,12,14).
What are the key properties of 7-fluoro-2-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
7-fluoro-2-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 195.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137128183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).