5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C17H17N7 — CID 139027873

About 5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 139027873) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 139027873
• Molecular Formula: C17H17N7
• Molecular Weight: 319.37 g/mol
• Exact Mass: 319.15
• IUPAC Name: 5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1
• InChI: InChI=1S/C17H17N7/c1-11-7-16(24-17(20-11)18-10-19-24)22-8-13(9-22)23-12(2)21-14-5-3-4-6-15(14)23/h3-7,10,13H,8-9H2,1-2H3
• InChIKey: UECGBEKYGQXALV-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 64.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.37
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

The IUPAC name of 5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 139027873) is 5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

What is the SMILES notation for 5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

The canonical SMILES for 5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CC(n3c(C)nc4ccccc43)C2)n2ncnc2n1.

What is the InChIKey of 5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

The InChIKey is UECGBEKYGQXALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-11-7-16(24-17(20-11)18-10-19-24)22-8-13(9-22)23-12(2)21-14-5-3-4-6-15(14)23/h3-7,10,13H,8-9H2,1-2H3.

What are the key properties of 5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 319.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 139027873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).