5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C18H13F3N6O2 — CID 4871045

About 5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 4871045) has the molecular formula C18H13F3N6O2 and a molecular weight of 402.34 g/mol. Its IUPAC name is 5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 4871045
• Molecular Formula: C18H13F3N6O2
• Molecular Weight: 402.34 g/mol
• Exact Mass: 402.11
• IUPAC Name: 5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: O=C1CC(C(=O)Nc2cccc(C(F)(F)F)c2)n2nc(-c3cccnc3)nc2N1
• InChI: InChI=1S/C18H13F3N6O2/c19-18(20,21)11-4-1-5-12(7-11)23-16(29)13-8-14(28)24-17-25-15(26-27(13)17)10-3-2-6-22-9-10/h1-7,9,13H,8H2,(H,23,29)(H,24,25,26,28)
• InChIKey: YBJIZBWDNLXEOI-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.34
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?

The IUPAC name of 5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 4871045) is 5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

What is the SMILES notation for 5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?

The canonical SMILES for 5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is O=C1CC(C(=O)Nc2cccc(C(F)(F)F)c2)n2nc(-c3cccnc3)nc2N1.

What is the InChIKey of 5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is YBJIZBWDNLXEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O2/c19-18(20,21)11-4-1-5-12(7-11)23-16(29)13-8-14(28)24-17-25-15(26-27(13)17)10-3-2-6-22-9-10/h1-7,9,13H,8H2,(H,23,29)(H,24,25,26,28).

What are the key properties of 5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?

5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 402.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 4871045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).