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

C18H19N5O2 — CID 123546202

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

(3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 123546202) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: (3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
• PubChem CID: 123546202
• Molecular Formula: C18H19N5O2
• Molecular Weight: 337.38 g/mol
• Exact Mass: 337.15
• IUPAC Name: (3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
• SMILES: Cc1cccc(C(=O)N2CCOC(c3cc(C)nc4ncnn34)C2)c1
• InChI: InChI=1S/C18H19N5O2/c1-12-4-3-5-14(8-12)17(24)22-6-7-25-16(10-22)15-9-13(2)21-18-19-11-20-23(15)18/h3-5,8-9,11,16H,6-7,10H2,1-2H3
• InChIKey: WOBREYFMMMLZJR-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 72.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.38
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 123546202) is (3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

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

The canonical SMILES for (3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cccc(C(=O)N2CCOC(c3cc(C)nc4ncnn34)C2)c1.

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

The InChIKey is WOBREYFMMMLZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-4-3-5-14(8-12)17(24)22-6-7-25-16(10-22)15-9-13(2)21-18-19-11-20-23(15)18/h3-5,8-9,11,16H,6-7,10H2,1-2H3.

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

(3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 123546202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).