3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

C18H14FN5O2 — CID 3895321

IUPAC3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESO=C1CC(c2ccccc2)n2nc(NC(=O)c3cccc(F)c3)nc2N1
InChIInChI=1S/C18H14FN5O2/c19-13-8-4-7-12(9-13)16(26)21-17-22-18-20-15(25)10-14(24(18)23-17)11-5-2-1-3-6-11/h1-9,14H,10H2,(H2,20,21,22,23,25,26)
InChIKeyMHLJQWCOBSCALH-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.60
Rot. Bonds3

About 3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 3895321) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID3895321
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESO=C1CC(c2ccccc2)n2nc(NC(=O)c3cccc(F)c3)nc2N1
InChIInChI=1S/C18H14FN5O2/c19-13-8-4-7-12(9-13)16(26)21-17-22-18-20-15(25)10-14(24(18)23-17)11-5-2-1-3-6-11/h1-9,14H,10H2,(H2,20,21,22,23,25,26)
InChIKeyMHLJQWCOBSCALH-UHFFFAOYSA-N
XLogP2.60
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of 3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 3895321) is 3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is O=C1CC(c2ccccc2)n2nc(NC(=O)c3cccc(F)c3)nc2N1.
What is the InChIKey of 3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is MHLJQWCOBSCALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c19-13-8-4-7-12(9-13)16(26)21-17-22-18-20-15(25)10-14(24(18)23-17)11-5-2-1-3-6-11/h1-9,14H,10H2,(H2,20,21,22,23,25,26).
What are the key properties of 3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 351.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 3895321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).