[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid

C₉H₉N₅O₃ — CID 66669134

About [1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid

[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid (PubChem CID 66669134) has the molecular formula C₉H₉N₅O₃ and a molecular weight of 235.20 g/mol. Its IUPAC name is [1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid
• PubChem CID: 66669134
• Molecular Formula: C₉H₉N₅O₃
• Molecular Weight: 235.20 g/mol
• Exact Mass: 235.07
• IUPAC Name: [1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid
• SMILES: Cn1cc(-n2ccc(=O)c(NC(=O)O)n2)cn1
• InChI: InChI=1S/C9H9N5O3/c1-13-5-6(4-10-13)14-3-2-7(15)8(12-14)11-9(16)17/h2-5H,1H3,(H,11,12)(H,16,17)
• InChIKey: MRVGQQOEUKHVRZ-UHFFFAOYSA-N
• XLogP: 0.06
• TPSA: 102.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.20
LogP ≤ 5	0.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid?

The IUPAC name of [1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid (CID 66669134) is [1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid.

What is the SMILES notation for [1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid?

The canonical SMILES for [1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid is Cn1cc(-n2ccc(=O)c(NC(=O)O)n2)cn1.

What is the InChIKey of [1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid?

The InChIKey is MRVGQQOEUKHVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-13-5-6(4-10-13)14-3-2-7(15)8(12-14)11-9(16)17/h2-5H,1H3,(H,11,12)(H,16,17).

What are the key properties of [1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid?

[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid has a molecular weight of 235.20 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid is sourced from PubChem (CID 66669134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66669134 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.