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

C28H23N5O — CID 71225081

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

(8-methyl-3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-phenylphenyl)methanone (PubChem CID 71225081) has the molecular formula C28H23N5O and a molecular weight of 445.53 g/mol. Its IUPAC name is (8-methyl-3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-phenylphenyl)methanone.

Molecular Properties

• Compound Name: (8-methyl-3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-phenylphenyl)methanone
• PubChem CID: 71225081
• Molecular Formula: C28H23N5O
• Molecular Weight: 445.53 g/mol
• Exact Mass: 445.19
• IUPAC Name: (8-methyl-3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-phenylphenyl)methanone
• SMILES: CC1c2nnc(-c3ccc4ccccc4n3)n2CCN1C(=O)c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C28H23N5O/c1-19-26-30-31-27(25-16-15-22-9-5-6-10-24(22)29-25)33(26)18-17-32(19)28(34)23-13-11-21(12-14-23)20-7-3-2-4-8-20/h2-16,19H,17-18H2,1H3
• InChIKey: MEAMIUFOZGWNFX-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.53
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (8-methyl-3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-phenylphenyl)methanone (CID 71225081) is (8-methyl-3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-phenylphenyl)methanone.

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

The canonical SMILES for (8-methyl-3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-phenylphenyl)methanone is CC1c2nnc(-c3ccc4ccccc4n3)n2CCN1C(=O)c1ccc(-c2ccccc2)cc1.

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

The InChIKey is MEAMIUFOZGWNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O/c1-19-26-30-31-27(25-16-15-22-9-5-6-10-24(22)29-25)33(26)18-17-32(19)28(34)23-13-11-21(12-14-23)20-7-3-2-4-8-20/h2-16,19H,17-18H2,1H3.

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

(8-methyl-3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-phenylphenyl)methanone has a molecular weight of 445.53 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (8-methyl-3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 71225081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).