[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone

C23H25N5O — CID 110263562

About [2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone

[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 110263562) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

• Compound Name: [2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
• PubChem CID: 110263562
• Molecular Formula: C23H25N5O
• Molecular Weight: 387.49 g/mol
• Exact Mass: 387.21
• IUPAC Name: [2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
• SMILES: CN1CCn2c(nnc2C2CCCN2C(=O)c2ccccc2-c2ccccc2)C1
• InChI: InChI=1S/C23H25N5O/c1-26-14-15-28-21(16-26)24-25-22(28)20-12-7-13-27(20)23(29)19-11-6-5-10-18(19)17-8-3-2-4-9-17/h2-6,8-11,20H,7,12-16H2,1H3
• InChIKey: ZRYUELZQYAYUTN-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.49
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone?

The IUPAC name of [2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone (CID 110263562) is [2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone.

What is the SMILES notation for [2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone?

The canonical SMILES for [2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone is CN1CCn2c(nnc2C2CCCN2C(=O)c2ccccc2-c2ccccc2)C1.

What is the InChIKey of [2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone?

The InChIKey is ZRYUELZQYAYUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-26-14-15-28-21(16-26)24-25-22(28)20-12-7-13-27(20)23(29)19-11-6-5-10-18(19)17-8-3-2-4-9-17/h2-6,8-11,20H,7,12-16H2,1H3.

What are the key properties of [2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone?

[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 387.49 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 110263562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).