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

C24H23N5O — CID 118471517

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

[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 118471517) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

• Compound Name: [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-phenylphenyl)methanone
• PubChem CID: 118471517
• Molecular Formula: C24H23N5O
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.19
• IUPAC Name: [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-phenylphenyl)methanone
• SMILES: Cc1cc(C2CCCN(C(=O)c3ccccc3-c3ccccc3)C2)n2ncnc2n1
• InChI: InChI=1S/C24H23N5O/c1-17-14-22(29-24(27-17)25-16-26-29)19-10-7-13-28(15-19)23(30)21-12-6-5-11-20(21)18-8-3-2-4-9-18/h2-6,8-9,11-12,14,16,19H,7,10,13,15H2,1H3
• InChIKey: VHTKFZRBLSPTLX-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 63.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-phenylphenyl)methanone (CID 118471517) is [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-phenylphenyl)methanone.

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

The canonical SMILES for [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-phenylphenyl)methanone is Cc1cc(C2CCCN(C(=O)c3ccccc3-c3ccccc3)C2)n2ncnc2n1.

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

The InChIKey is VHTKFZRBLSPTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-17-14-22(29-24(27-17)25-16-26-29)19-10-7-13-28(15-19)23(30)21-12-6-5-11-20(21)18-8-3-2-4-9-18/h2-6,8-9,11-12,14,16,19H,7,10,13,15H2,1H3.

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

[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 397.48 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 118471517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).