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

C18H15Cl2N5O — CID 66598905

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

(2,3-dichlorophenyl)-[3-(5-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 66598905) has the molecular formula C18H15Cl2N5O and a molecular weight of 388.26 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[3-(5-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (2,3-dichlorophenyl)-[3-(5-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• PubChem CID: 66598905
• Molecular Formula: C18H15Cl2N5O
• Molecular Weight: 388.26 g/mol
• Exact Mass: 387.07
• IUPAC Name: (2,3-dichlorophenyl)-[3-(5-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• SMILES: Cc1ccc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2Cl)C3)nc1
• InChI: InChI=1S/C18H15Cl2N5O/c1-11-5-6-14(21-9-11)17-23-22-15-10-24(7-8-25(15)17)18(26)12-3-2-4-13(19)16(12)20/h2-6,9H,7-8,10H2,1H3
• InChIKey: DNWILGDCHHBYGO-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.26
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2,3-dichlorophenyl)-[3-(5-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 66598905) is (2,3-dichlorophenyl)-[3-(5-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

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

The canonical SMILES for (2,3-dichlorophenyl)-[3-(5-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1ccc(-c2nnc3n2CCN(C(=O)c2cccc(Cl)c2Cl)C3)nc1.

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

The InChIKey is DNWILGDCHHBYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O/c1-11-5-6-14(21-9-11)17-23-22-15-10-24(7-8-25(15)17)18(26)12-3-2-4-13(19)16(12)20/h2-6,9H,7-8,10H2,1H3.

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

(2,3-dichlorophenyl)-[3-(5-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 388.26 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3-dichlorophenyl)-[3-(5-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 66598905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).