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

C19H16FN5O — CID 137090894

IUPAC2-fluoro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCC1=CC(c2ccccc2)n2nc(NC(=O)c3ccccc3F)nc2N1
InChIInChI=1S/C19H16FN5O/c1-12-11-16(13-7-3-2-4-8-13)25-19(21-12)23-18(24-25)22-17(26)14-9-5-6-10-15(14)20/h2-11,16H,1H3,(H2,21,22,23,24,26)
InChIKeyISQFNIVEQLNWCZ-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.59
Rot. Bonds3

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

2-fluoro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 137090894) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-fluoro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID137090894
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name2-fluoro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCC1=CC(c2ccccc2)n2nc(NC(=O)c3ccccc3F)nc2N1
InChIInChI=1S/C19H16FN5O/c1-12-11-16(13-7-3-2-4-8-13)25-19(21-12)23-18(24-25)22-17(26)14-9-5-6-10-15(14)20/h2-11,16H,1H3,(H2,21,22,23,24,26)
InChIKeyISQFNIVEQLNWCZ-UHFFFAOYSA-N
XLogP3.59
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 137090894) is 2-fluoro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is CC1=CC(c2ccccc2)n2nc(NC(=O)c3ccccc3F)nc2N1.
What is the InChIKey of 2-fluoro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is ISQFNIVEQLNWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-12-11-16(13-7-3-2-4-8-13)25-19(21-12)23-18(24-25)22-17(26)14-9-5-6-10-15(14)20/h2-11,16H,1H3,(H2,21,22,23,24,26).
What are the key properties of 2-fluoro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
2-fluoro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 349.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 137090894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).