5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one

C17H20N8O2 — CID 72904793

About 5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one

5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 72904793) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

• Compound Name: 5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
• PubChem CID: 72904793
• Molecular Formula: C17H20N8O2
• Molecular Weight: 368.40 g/mol
• Exact Mass: 368.17
• IUPAC Name: 5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
• SMILES: Cn1c(Cn2cccn2)nnc1C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
• InChI: InChI=1S/C17H20N8O2/c1-23-14(11-25-6-2-5-20-25)21-22-16(23)12-3-7-24(8-4-12)17(27)13-9-19-15(26)10-18-13/h2,5-6,9-10,12H,3-4,7-8,11H2,1H3,(H,19,26)
• InChIKey: ZYATZTDEQUGHOE-UHFFFAOYSA-N
• XLogP: 0.16
• TPSA: 114.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.40
LogP ≤ 5	0.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one?

The IUPAC name of 5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one (CID 72904793) is 5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one.

What is the SMILES notation for 5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one?

The canonical SMILES for 5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one is Cn1c(Cn2cccn2)nnc1C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1.

What is the InChIKey of 5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one?

The InChIKey is ZYATZTDEQUGHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2/c1-23-14(11-25-6-2-5-20-25)21-22-16(23)12-3-7-24(8-4-12)17(27)13-9-19-15(26)10-18-13/h2,5-6,9-10,12H,3-4,7-8,11H2,1H3,(H,19,26).

What are the key properties of 5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one?

5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 368.40 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 72904793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).