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

C18H12FN5O — CID 707949

IUPAC4-fluoro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc2nccc(-c3ccccc3)n2n1)c1ccc(F)cc1
InChIInChI=1S/C18H12FN5O/c19-14-8-6-13(7-9-14)16(25)21-17-22-18-20-11-10-15(24(18)23-17)12-4-2-1-3-5-12/h1-11H,(H,21,23,25)
InChIKeyFJEHMPLHRCNOTI-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.18
Rot. Bonds3

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

4-fluoro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 707949) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is 4-fluoro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID707949
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC Name4-fluoro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc2nccc(-c3ccccc3)n2n1)c1ccc(F)cc1
InChIInChI=1S/C18H12FN5O/c19-14-8-6-13(7-9-14)16(25)21-17-22-18-20-11-10-15(24(18)23-17)12-4-2-1-3-5-12/h1-11H,(H,21,23,25)
InChIKeyFJEHMPLHRCNOTI-UHFFFAOYSA-N
XLogP3.18
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 707949) is 4-fluoro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is O=C(Nc1nc2nccc(-c3ccccc3)n2n1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is FJEHMPLHRCNOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O/c19-14-8-6-13(7-9-14)16(25)21-17-22-18-20-11-10-15(24(18)23-17)12-4-2-1-3-5-12/h1-11H,(H,21,23,25).
What are the key properties of 4-fluoro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
4-fluoro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 333.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 707949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).