4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one

C9H10N4O — CID 103294216

IUPAC4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2cccnn2)C(=O)C1C
InChIInChI=1S/C9H10N4O/c1-6-7(2)12-13(9(6)14)8-4-3-5-10-11-8/h3-6H,1-2H3
InChIKeyASEHJTSVYDLYGG-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.84
Rot. Bonds1

About 4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one

4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one (PubChem CID 103294216) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one
PubChem CID103294216
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2cccnn2)C(=O)C1C
InChIInChI=1S/C9H10N4O/c1-6-7(2)12-13(9(6)14)8-4-3-5-10-11-8/h3-6H,1-2H3
InChIKeyASEHJTSVYDLYGG-UHFFFAOYSA-N
XLogP0.84
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one?
The IUPAC name of 4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one (CID 103294216) is 4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one.
What is the SMILES notation for 4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one?
The canonical SMILES for 4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one is CC1=NN(c2cccnn2)C(=O)C1C.
What is the InChIKey of 4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one?
The InChIKey is ASEHJTSVYDLYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6-7(2)12-13(9(6)14)8-4-3-5-10-11-8/h3-6H,1-2H3.
What are the key properties of 4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one?
4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one has a molecular weight of 190.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pyridazin-3-yl-4H-pyrazol-3-one is sourced from PubChem (CID 103294216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).