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

C20H23N5O2 — CID 118471225

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

[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-(3-propan-2-ylphenyl)methanone (PubChem CID 118471225) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-(3-propan-2-ylphenyl)methanone.

Molecular Properties

• Compound Name: [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-(3-propan-2-ylphenyl)methanone
• PubChem CID: 118471225
• Molecular Formula: C20H23N5O2
• Molecular Weight: 365.44 g/mol
• Exact Mass: 365.19
• IUPAC Name: [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-(3-propan-2-ylphenyl)methanone
• SMILES: Cc1cc(C2CN(C(=O)c3cccc(C(C)C)c3)CCO2)n2ncnc2n1
• InChI: InChI=1S/C20H23N5O2/c1-13(2)15-5-4-6-16(10-15)19(26)24-7-8-27-18(11-24)17-9-14(3)23-20-21-12-22-25(17)20/h4-6,9-10,12-13,18H,7-8,11H2,1-3H3
• InChIKey: VHNGYTCDOFXQST-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 72.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.44
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-(3-propan-2-ylphenyl)methanone (CID 118471225) is [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-(3-propan-2-ylphenyl)methanone.

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

The canonical SMILES for [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-(3-propan-2-ylphenyl)methanone is Cc1cc(C2CN(C(=O)c3cccc(C(C)C)c3)CCO2)n2ncnc2n1.

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

The InChIKey is VHNGYTCDOFXQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13(2)15-5-4-6-16(10-15)19(26)24-7-8-27-18(11-24)17-9-14(3)23-20-21-12-22-25(17)20/h4-6,9-10,12-13,18H,7-8,11H2,1-3H3.

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

[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-(3-propan-2-ylphenyl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-(3-propan-2-ylphenyl)methanone is sourced from PubChem (CID 118471225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).