(4-methoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

C18H19N5O3 — CID 118472637

About (4-methoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

(4-methoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118472637) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: (4-methoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
• PubChem CID: 118472637
• Molecular Formula: C18H19N5O3
• Molecular Weight: 353.38 g/mol
• Exact Mass: 353.15
• IUPAC Name: (4-methoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
• SMILES: COc1ccc(C(=O)N2CCOC(c3cc(C)nc4ncnn34)C2)cc1
• InChI: InChI=1S/C18H19N5O3/c1-12-9-15(23-18(21-12)19-11-20-23)16-10-22(7-8-26-16)17(24)13-3-5-14(25-2)6-4-13/h3-6,9,11,16H,7-8,10H2,1-2H3
• InChIKey: OQXOUEPHLGHDRS-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 81.85 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.38
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (4-methoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118472637) is (4-methoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

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

The canonical SMILES for (4-methoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is COc1ccc(C(=O)N2CCOC(c3cc(C)nc4ncnn34)C2)cc1.

What is the InChIKey of (4-methoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?

The InChIKey is OQXOUEPHLGHDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-9-15(23-18(21-12)19-11-20-23)16-10-22(7-8-26-16)17(24)13-3-5-14(25-2)6-4-13/h3-6,9,11,16H,7-8,10H2,1-2H3.

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

(4-methoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 353.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118472637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).