7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine

C17H16FN7 — CID 11427692

About 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine

7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11427692) has the molecular formula C17H16FN7 and a molecular weight of 337.36 g/mol. Its IUPAC name is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

• Compound Name: 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
• PubChem CID: 11427692
• Molecular Formula: C17H16FN7
• Molecular Weight: 337.36 g/mol
• Exact Mass: 337.15
• IUPAC Name: 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
• SMILES: CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2ncnc12
• InChI: InChI=1S/C17H16FN7/c1-2-4-12-14(22-11-25-16(12)21-10-23-25)9-24-8-7-20-17(24)15-13(18)5-3-6-19-15/h3,5-8,10-11H,2,4,9H2,1H3
• InChIKey: DUCQNVVDVIJXFQ-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 73.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.36
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?

The IUPAC name of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11427692) is 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.

What is the SMILES notation for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?

The canonical SMILES for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2ncnc12.

What is the InChIKey of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?

The InChIKey is DUCQNVVDVIJXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7/c1-2-4-12-14(22-11-25-16(12)21-10-23-25)9-24-8-7-20-17(24)15-13(18)5-3-6-19-15/h3,5-8,10-11H,2,4,9H2,1H3.

What are the key properties of 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?

7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 337.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11427692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).