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

C7H6FN3O — CID 137128215

IUPAC6-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1nn2cc(F)cc2c(=O)[nH]1
InChIInChI=1S/C7H6FN3O/c1-4-9-7(12)6-2-5(8)3-11(6)10-4/h2-3H,1H3,(H,9,10,12)
InChIKeyNGBBZIKLYFGSMW-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.47
Rot. Bonds

About 6-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

6-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137128215) has the molecular formula C7H6FN3O and a molecular weight of 167.14 g/mol. Its IUPAC name is 6-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137128215
Molecular FormulaC7H6FN3O
Molecular Weight167.14 g/mol
Exact Mass167.05
IUPAC Name6-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1nn2cc(F)cc2c(=O)[nH]1
InChIInChI=1S/C7H6FN3O/c1-4-9-7(12)6-2-5(8)3-11(6)10-4/h2-3H,1H3,(H,9,10,12)
InChIKeyNGBBZIKLYFGSMW-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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Related Compounds

1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 3240920
Peramine
CID 114748
N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
CID 22514504
1H,2H-pyrrolo(1,2-a)pyrazin-1-one
CID 15662088
3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135488218
N-[(3-Fluorophenyl)methyl]-2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-D][1,2,4]triazin-2-YL}acetamide
CID 22514513
2-Chloro-1H,4H-pyrrolo(2,1-f)(1,2,4)triazin-4-one
CID 135742087
2-Aminopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
CID 135410170
Peramine cation
CID 91820525
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 22514486
4-Ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 22514527
4-(Trifluoromethyl)pyrrolo[1,2-d][1,2,4]triazin-1-ol
CID 2726664

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137128215) is 6-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1nn2cc(F)cc2c(=O)[nH]1.
What is the InChIKey of 6-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is NGBBZIKLYFGSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O/c1-4-9-7(12)6-2-5(8)3-11(6)10-4/h2-3H,1H3,(H,9,10,12).
What are the key properties of 6-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
6-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 6-fluoro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137128215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).