methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine

C30H36N12O8 — CID 161079879

About methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine

methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine (PubChem CID 161079879) has the molecular formula C30H36N12O8 and a molecular weight of 692.69 g/mol. Its IUPAC name is methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine.

Molecular Properties

• Compound Name: methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine
• PubChem CID: 161079879
• Molecular Formula: C30H36N12O8
• Molecular Weight: 692.69 g/mol
• Exact Mass: 692.28
• IUPAC Name: methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine
• SMILES: C.COC(=O)C(=O)CC(C)=O.COC(=O)c1cc(C)nn1-c1cnccn1.Cc1cc(C(=O)O)n(-c2cnccn2)n1.NNc1cnccn1
• InChI: InChI=1S/C10H10N4O2.C9H8N4O2.C6H8O4.C4H6N4.CH4/c1-7-5-8(10(15)16-2)14(13-7)9-6-11-3-4-12-9;1-6-4-7(9(14)15)13(12-6)8-5-10-2-3-11-8;1-4(7)3-5(8)6(9)10-2;5-8-4-3-6-1-2-7-4;/h3-6H,1-2H3;2-5H,1H3,(H,14,15);3H2,1-2H3;1-3H,5H2,(H,7,8);1H4
• InChIKey: UFTRZCWMMVQTGV-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 275.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.69
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine?

The IUPAC name of methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine (CID 161079879) is methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine.

What is the SMILES notation for methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine?

The canonical SMILES for methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine is C.COC(=O)C(=O)CC(C)=O.COC(=O)c1cc(C)nn1-c1cnccn1.Cc1cc(C(=O)O)n(-c2cnccn2)n1.NNc1cnccn1.

What is the InChIKey of methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine?

The InChIKey is UFTRZCWMMVQTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2.C9H8N4O2.C6H8O4.C4H6N4.CH4/c1-7-5-8(10(15)16-2)14(13-7)9-6-11-3-4-12-9;1-6-4-7(9(14)15)13(12-6)8-5-10-2-3-11-8;1-4(7)3-5(8)6(9)10-2;5-8-4-3-6-1-2-7-4;/h3-6H,1-2H3;2-5H,1H3,(H,14,15);3H2,1-2H3;1-3H,5H2,(H,7,8);1H4.

What are the key properties of methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine?

methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine has a molecular weight of 692.69 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;pyrazin-2-ylhydrazine is sourced from PubChem (CID 161079879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).