8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

C17H18N6O3 — CID 50951123

About 8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 50951123) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

• Compound Name: 8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
• PubChem CID: 50951123
• Molecular Formula: C17H18N6O3
• Molecular Weight: 354.37 g/mol
• Exact Mass: 354.14
• IUPAC Name: 8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
• SMILES: CN1CC(=O)N2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2C1=O
• InChI: InChI=1S/C17H18N6O3/c1-21-10-15(24)23-7-6-22(9-14(23)17(21)26)16(25)13-8-12(19-20-13)11-2-4-18-5-3-11/h2-5,8,14H,6-7,9-10H2,1H3,(H,19,20)
• InChIKey: GXWNKEJFTQFGEL-UHFFFAOYSA-N
• XLogP: -0.40
• TPSA: 102.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.37
LogP ≤ 5	-0.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?

The IUPAC name of 8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 50951123) is 8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

What is the SMILES notation for 8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?

The canonical SMILES for 8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is CN1CC(=O)N2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2C1=O.

What is the InChIKey of 8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?

The InChIKey is GXWNKEJFTQFGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-21-10-15(24)23-7-6-22(9-14(23)17(21)26)16(25)13-8-12(19-20-13)11-2-4-18-5-3-11/h2-5,8,14H,6-7,9-10H2,1H3,(H,19,20).

What are the key properties of 8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?

8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 354.37 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-2-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 50951123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).