7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide

C7H5FN4O2 — CID 154726709

IUPAC7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide
SMILESNC(=O)c1nn2c(F)ccc2c(=O)[nH]1
InChIInChI=1S/C7H5FN4O2/c8-4-2-1-3-7(14)10-6(5(9)13)11-12(3)4/h1-2H,(H2,9,13)(H,10,11,14)
InChIKeyFRNPKHDUYHYODY-UHFFFAOYSA-N
MW196.14 g/mol
LogP-0.74
Rot. Bonds1

About 7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide

7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide (PubChem CID 154726709) has the molecular formula C7H5FN4O2 and a molecular weight of 196.14 g/mol. Its IUPAC name is 7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide
PubChem CID154726709
Molecular FormulaC7H5FN4O2
Molecular Weight196.14 g/mol
Exact Mass196.04
IUPAC Name7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide
SMILESNC(=O)c1nn2c(F)ccc2c(=O)[nH]1
InChIInChI=1S/C7H5FN4O2/c8-4-2-1-3-7(14)10-6(5(9)13)11-12(3)4/h1-2H,(H2,9,13)(H,10,11,14)
InChIKeyFRNPKHDUYHYODY-UHFFFAOYSA-N
XLogP-0.74
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide?
The IUPAC name of 7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide (CID 154726709) is 7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide.
What is the SMILES notation for 7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide?
The canonical SMILES for 7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide is NC(=O)c1nn2c(F)ccc2c(=O)[nH]1.
What is the InChIKey of 7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide?
The InChIKey is FRNPKHDUYHYODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4O2/c8-4-2-1-3-7(14)10-6(5(9)13)11-12(3)4/h1-2H,(H2,9,13)(H,10,11,14).
What are the key properties of 7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide?
7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide has a molecular weight of 196.14 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-2-carboxamide is sourced from PubChem (CID 154726709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).