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

C25H26N8O — CID 10100370

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

5,7-dipropyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one (PubChem CID 10100370) has the molecular formula C25H26N8O and a molecular weight of 454.54 g/mol. Its IUPAC name is 5,7-dipropyl-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: 5,7-dipropyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
• PubChem CID: 10100370
• Molecular Formula: C25H26N8O
• Molecular Weight: 454.54 g/mol
• Exact Mass: 454.22
• IUPAC Name: 5,7-dipropyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
• SMILES: CCCc1nc(CCC)n2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C25H26N8O/c1-3-7-21-20(24-27-25(34)30-33(24)22(26-21)8-4-2)15-16-11-13-17(14-12-16)18-9-5-6-10-19(18)23-28-31-32-29-23/h5-6,9-14H,3-4,7-8,15H2,1-2H3,(H,30,34)(H,28,29,31,32)
• InChIKey: NCNVKRZFAAPLCX-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 117.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.54
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5,7-dipropyl-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 5,7-dipropyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one (CID 10100370) is 5,7-dipropyl-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 5,7-dipropyl-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 5,7-dipropyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one is CCCc1nc(CCC)n2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

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

The InChIKey is NCNVKRZFAAPLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O/c1-3-7-21-20(24-27-25(34)30-33(24)22(26-21)8-4-2)15-16-11-13-17(14-12-16)18-9-5-6-10-19(18)23-28-31-32-29-23/h5-6,9-14H,3-4,7-8,15H2,1-2H3,(H,30,34)(H,28,29,31,32).

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

5,7-dipropyl-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 454.54 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dipropyl-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 10100370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).