7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one

C22H20N8O — CID 10251107

About 7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one

7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one (PubChem CID 10251107) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is 7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one.

Molecular Properties

• Compound Name: 7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
• PubChem CID: 10251107
• Molecular Formula: C22H20N8O
• Molecular Weight: 412.46 g/mol
• Exact Mass: 412.18
• IUPAC Name: 7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
• SMILES: CCc1nc(C)n2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C22H20N8O/c1-3-19-18(21-24-22(31)27-30(21)13(2)23-19)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)20-25-28-29-26-20/h4-11H,3,12H2,1-2H3,(H,27,31)(H,25,26,28,29)
• InChIKey: OCLPGFXKLNHVSK-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 117.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.46
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?

The IUPAC name of 7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one (CID 10251107) is 7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one.

What is the SMILES notation for 7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?

The canonical SMILES for 7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one is CCc1nc(C)n2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?

The InChIKey is OCLPGFXKLNHVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c1-3-19-18(21-24-22(31)27-30(21)13(2)23-19)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)20-25-28-29-26-20/h4-11H,3,12H2,1-2H3,(H,27,31)(H,25,26,28,29).

What are the key properties of 7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?

7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one has a molecular weight of 412.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one is sourced from PubChem (CID 10251107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).