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

C9H9N5O3 — CID 66669134

IUPAC[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid
SMILESCn1cc(-n2ccc(=O)c(NC(=O)O)n2)cn1
InChIInChI=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)
InChIKeyMRVGQQOEUKHVRZ-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.06
Rot. Bonds2

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 CID66669134
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid
SMILESCn1cc(-n2ccc(=O)c(NC(=O)O)n2)cn1
InChIInChI=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)
InChIKeyMRVGQQOEUKHVRZ-UHFFFAOYSA-N
XLogP0.06
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).