2-(2-methylpropyl)pyridazin-3-one

C8H12N2O — CID 23018253

IUPAC2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncccc1=O
InChIInChI=1S/C8H12N2O/c1-7(2)6-10-8(11)4-3-5-9-10/h3-5,7H,6H2,1-2H3
InChIKeyKNHNKXXSWOXPRP-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.90
Rot. Bonds2

About 2-(2-methylpropyl)pyridazin-3-one

2-(2-methylpropyl)pyridazin-3-one (PubChem CID 23018253) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)pyridazin-3-one
PubChem CID23018253
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncccc1=O
InChIInChI=1S/C8H12N2O/c1-7(2)6-10-8(11)4-3-5-9-10/h3-5,7H,6H2,1-2H3
InChIKeyKNHNKXXSWOXPRP-UHFFFAOYSA-N
XLogP0.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 2-(2-methylpropyl)pyridazin-3-one (CID 23018253) is 2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncccc1=O.
What is the InChIKey of 2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is KNHNKXXSWOXPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7(2)6-10-8(11)4-3-5-9-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)pyridazin-3-one?
2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 152.20 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 23018253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).