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

C7H6FN3O — CID 137128182

IUPAC7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1nn2c(F)ccc2c(=O)[nH]1
InChIInChI=1S/C7H6FN3O/c1-4-9-7(12)5-2-3-6(8)11(5)10-4/h2-3H,1H3,(H,9,10,12)
InChIKeyQWROMXMPDZJGNL-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.47
Rot. Bonds

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

7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137128182) has the molecular formula C7H6FN3O and a molecular weight of 167.14 g/mol. Its IUPAC name is 7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137128182
Molecular FormulaC7H6FN3O
Molecular Weight167.14 g/mol
Exact Mass167.05
IUPAC Name7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1nn2c(F)ccc2c(=O)[nH]1
InChIInChI=1S/C7H6FN3O/c1-4-9-7(12)5-2-3-6(8)11(5)10-4/h2-3H,1H3,(H,9,10,12)
InChIKeyQWROMXMPDZJGNL-UHFFFAOYSA-N
XLogP0.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137128182) is 7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1nn2c(F)ccc2c(=O)[nH]1.
What is the InChIKey of 7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is QWROMXMPDZJGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O/c1-4-9-7(12)5-2-3-6(8)11(5)10-4/h2-3H,1H3,(H,9,10,12).
What are the key properties of 7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 167.14 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137128182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).