3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one

C8H9N5O — CID 66668300

IUPAC3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one
SMILESCn1cc(-n2ccc(=O)c(N)n2)cn1
InChIInChI=1S/C8H9N5O/c1-12-5-6(4-10-12)13-3-2-7(14)8(9)11-13/h2-5H,1H3,(H2,9,11)
InChIKeyXCFDQBHWKYALJP-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.45
Rot. Bonds1

About 3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one

3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one (PubChem CID 66668300) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one.

Molecular Properties

Compound Name3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one
PubChem CID66668300
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one
SMILESCn1cc(-n2ccc(=O)c(N)n2)cn1
InChIInChI=1S/C8H9N5O/c1-12-5-6(4-10-12)13-3-2-7(14)8(9)11-13/h2-5H,1H3,(H2,9,11)
InChIKeyXCFDQBHWKYALJP-UHFFFAOYSA-N
XLogP-0.45
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one?
The IUPAC name of 3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one (CID 66668300) is 3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one.
What is the SMILES notation for 3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one?
The canonical SMILES for 3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one is Cn1cc(-n2ccc(=O)c(N)n2)cn1.
What is the InChIKey of 3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one?
The InChIKey is XCFDQBHWKYALJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-12-5-6(4-10-12)13-3-2-7(14)8(9)11-13/h2-5H,1H3,(H2,9,11).
What are the key properties of 3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one?
3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one has a molecular weight of 191.19 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-methylpyrazol-4-yl)pyridazin-4-one is sourced from PubChem (CID 66668300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).