3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one

C11H18N2O — CID 114868585

IUPAC3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)Cc1n[nH]c(=O)cc1C(C)C
InChIInChI=1S/C11H18N2O/c1-7(2)5-10-9(8(3)4)6-11(14)13-12-10/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeyJIZBKJMXLDRJGG-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.09
Rot. Bonds3

About 3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one

3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one (PubChem CID 114868585) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one
PubChem CID114868585
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)Cc1n[nH]c(=O)cc1C(C)C
InChIInChI=1S/C11H18N2O/c1-7(2)5-10-9(8(3)4)6-11(14)13-12-10/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeyJIZBKJMXLDRJGG-UHFFFAOYSA-N
XLogP2.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of 3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one (CID 114868585) is 3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one is CC(C)Cc1n[nH]c(=O)cc1C(C)C.
What is the InChIKey of 3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is JIZBKJMXLDRJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)5-10-9(8(3)4)6-11(14)13-12-10/h6-8H,5H2,1-4H3,(H,13,14).
What are the key properties of 3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one?
3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 194.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 114868585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).