[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone

C22H22N6O3 — CID 38012980

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

[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone (PubChem CID 38012980) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is [4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone.

Molecular Properties

• Compound Name: [4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
• PubChem CID: 38012980
• Molecular Formula: C22H22N6O3
• Molecular Weight: 418.46 g/mol
• Exact Mass: 418.18
• IUPAC Name: [4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
• SMILES: Cc1cc(N2CCN(C(=O)c3occc3COc3ccccc3)CC2)n2ncnc2n1
• InChI: InChI=1S/C22H22N6O3/c1-16-13-19(28-22(25-16)23-15-24-28)26-8-10-27(11-9-26)21(29)20-17(7-12-30-20)14-31-18-5-3-2-4-6-18/h2-7,12-13,15H,8-11,14H2,1H3
• InChIKey: NVYWNHQWKYBQJY-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 89.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.46
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone (CID 38012980) is [4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone.

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

The canonical SMILES for [4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone is Cc1cc(N2CCN(C(=O)c3occc3COc3ccccc3)CC2)n2ncnc2n1.

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

The InChIKey is NVYWNHQWKYBQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-16-13-19(28-22(25-16)23-15-24-28)26-8-10-27(11-9-26)21(29)20-17(7-12-30-20)14-31-18-5-3-2-4-6-18/h2-7,12-13,15H,8-11,14H2,1H3.

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

[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone has a molecular weight of 418.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 38012980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).