2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C7H7FN4O — CID 145286884

IUPAC2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESNCc1nn2cc(F)cc2c(=O)[nH]1
InChIInChI=1S/C7H7FN4O/c8-4-1-5-7(13)10-6(2-9)11-12(5)3-4/h1,3H,2,9H2,(H,10,11,13)
InChIKeyVJWRHKGDSLFRKE-UHFFFAOYSA-N
MW182.16 g/mol
LogP-0.38
Rot. Bonds1

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

2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 145286884) has the molecular formula C7H7FN4O and a molecular weight of 182.16 g/mol. Its IUPAC name is 2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID145286884
Molecular FormulaC7H7FN4O
Molecular Weight182.16 g/mol
Exact Mass182.06
IUPAC Name2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESNCc1nn2cc(F)cc2c(=O)[nH]1
InChIInChI=1S/C7H7FN4O/c8-4-1-5-7(13)10-6(2-9)11-12(5)3-4/h1,3H,2,9H2,(H,10,11,13)
InChIKeyVJWRHKGDSLFRKE-UHFFFAOYSA-N
XLogP-0.38
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrrole-2-carboxamide
CID 573553
1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 3240920
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 2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 145286884) is 2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is NCc1nn2cc(F)cc2c(=O)[nH]1.
What is the InChIKey of 2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is VJWRHKGDSLFRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN4O/c8-4-1-5-7(13)10-6(2-9)11-12(5)3-4/h1,3H,2,9H2,(H,10,11,13).
What are the key properties of 2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 182.16 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 145286884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).