[3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

C25H26N6O2 — CID 38012746

About [3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

[3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (PubChem CID 38012746) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is [3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
• PubChem CID: 38012746
• Molecular Formula: C25H26N6O2
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.21
• IUPAC Name: [3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
• SMILES: Cc1cccc(COc2cccc(C(=O)N3CCN(c4cc(C)nc5ncnn45)CC3)c2)c1
• InChI: InChI=1S/C25H26N6O2/c1-18-5-3-6-20(13-18)16-33-22-8-4-7-21(15-22)24(32)30-11-9-29(10-12-30)23-14-19(2)28-25-26-17-27-31(23)25/h3-8,13-15,17H,9-12,16H2,1-2H3
• InChIKey: HIIAVYVLVBGCDH-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 75.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?

The IUPAC name of [3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (CID 38012746) is [3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.

What is the SMILES notation for [3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?

The canonical SMILES for [3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is Cc1cccc(COc2cccc(C(=O)N3CCN(c4cc(C)nc5ncnn45)CC3)c2)c1.

What is the InChIKey of [3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?

The InChIKey is HIIAVYVLVBGCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-18-5-3-6-20(13-18)16-33-22-8-4-7-21(15-22)24(32)30-11-9-29(10-12-30)23-14-19(2)28-25-26-17-27-31(23)25/h3-8,13-15,17H,9-12,16H2,1-2H3.

What are the key properties of [3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?

[3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone has a molecular weight of 442.52 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 38012746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).