4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

C18H12FN5O2 — CID 930555

IUPAC4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C18H12FN5O2/c19-13-8-6-12(7-9-13)16(26)21-17-22-18-20-14(10-15(25)24(18)23-17)11-4-2-1-3-5-11/h1-10H,(H2,20,21,22,23,26)
InChIKeyYXGCLQYXYBWDAL-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.48
Rot. Bonds3

About 4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 930555) has the molecular formula C18H12FN5O2 and a molecular weight of 349.33 g/mol. Its IUPAC name is 4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID930555
Molecular FormulaC18H12FN5O2
Molecular Weight349.33 g/mol
Exact Mass349.10
IUPAC Name4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C18H12FN5O2/c19-13-8-6-12(7-9-13)16(26)21-17-22-18-20-14(10-15(25)24(18)23-17)11-4-2-1-3-5-11/h1-10H,(H2,20,21,22,23,26)
InChIKeyYXGCLQYXYBWDAL-UHFFFAOYSA-N
XLogP2.48
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 930555) is 4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is O=C(Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is YXGCLQYXYBWDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O2/c19-13-8-6-12(7-9-13)16(26)21-17-22-18-20-14(10-15(25)24(18)23-17)11-4-2-1-3-5-11/h1-10H,(H2,20,21,22,23,26).
What are the key properties of 4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 349.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 930555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).