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

C18H23N5O2 — CID 134795386

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

(4-methoxyphenyl)-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 134795386) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (4-methoxyphenyl)-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

• Compound Name: (4-methoxyphenyl)-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
• PubChem CID: 134795386
• Molecular Formula: C18H23N5O2
• Molecular Weight: 341.41 g/mol
• Exact Mass: 341.19
• IUPAC Name: (4-methoxyphenyl)-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
• SMILES: COc1ccc(C(=O)N2CCn3c(nnc3C3CCCNC3)C2)cc1
• InChI: InChI=1S/C18H23N5O2/c1-25-15-6-4-13(5-7-15)18(24)22-9-10-23-16(12-22)20-21-17(23)14-3-2-8-19-11-14/h4-7,14,19H,2-3,8-12H2,1H3
• InChIKey: BSZHTSTUUAKZJE-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.41
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4-methoxyphenyl)-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 134795386) is (4-methoxyphenyl)-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

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

The canonical SMILES for (4-methoxyphenyl)-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is COc1ccc(C(=O)N2CCn3c(nnc3C3CCCNC3)C2)cc1.

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

The InChIKey is BSZHTSTUUAKZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-25-15-6-4-13(5-7-15)18(24)22-9-10-23-16(12-22)20-21-17(23)14-3-2-8-19-11-14/h4-7,14,19H,2-3,8-12H2,1H3.

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

(4-methoxyphenyl)-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxyphenyl)-(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 134795386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).