2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide

C9H7FN6O — CID 105387673

IUPAC2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
SMILESNc1nccc(C(=O)Nc2nccnn2)c1F
InChIInChI=1S/C9H7FN6O/c10-6-5(1-2-12-7(6)11)8(17)15-9-13-3-4-14-16-9/h1-4H,(H2,11,12)(H,13,15,16,17)
InChIKeyJJTSYTBENZBGOV-UHFFFAOYSA-N
MW234.19 g/mol
LogP0.24
Rot. Bonds2

About 2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide

2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide (PubChem CID 105387673) has the molecular formula C9H7FN6O and a molecular weight of 234.19 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
PubChem CID105387673
Molecular FormulaC9H7FN6O
Molecular Weight234.19 g/mol
Exact Mass234.07
IUPAC Name2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
SMILESNc1nccc(C(=O)Nc2nccnn2)c1F
InChIInChI=1S/C9H7FN6O/c10-6-5(1-2-12-7(6)11)8(17)15-9-13-3-4-14-16-9/h1-4H,(H2,11,12)(H,13,15,16,17)
InChIKeyJJTSYTBENZBGOV-UHFFFAOYSA-N
XLogP0.24
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387337
2-amino-N-(2,6-difluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105384666
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide
CID 107632020
2-amino-3-fluoro-N-pyridin-2-ylpyridine-4-carboxamide
CID 105384358
2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114386754
4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387340
3-amino-4-fluoro-N-(1,2,4-triazin-3-yl)benzamide
CID 114386756
2-amino-N-(4-ethylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384537
2-amino-N-(2,6-diethylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384043
2-amino-3-fluoro-N-(4-fluoro-2-iodophenyl)pyridine-4-carboxamide
CID 105386874
2-amino-N-(3-bromo-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105387341
2-amino-N-(4-chloro-2-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105385883

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide (CID 105387673) is 2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide is Nc1nccc(C(=O)Nc2nccnn2)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide?
The InChIKey is JJTSYTBENZBGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN6O/c10-6-5(1-2-12-7(6)11)8(17)15-9-13-3-4-14-16-9/h1-4H,(H2,11,12)(H,13,15,16,17).
What are the key properties of 2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide?
2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide has a molecular weight of 234.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105387673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).