2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one

C11H18N2O — CID 138715793

IUPAC2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
SMILESCC(C)Cn1nc(C(C)C)ccc1=O
InChIInChI=1S/C11H18N2O/c1-8(2)7-13-11(14)6-5-10(12-13)9(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyRNWPPUMCTMUFMQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.02
Rot. Bonds3

About 2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one

2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one (PubChem CID 138715793) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
PubChem CID138715793
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
SMILESCC(C)Cn1nc(C(C)C)ccc1=O
InChIInChI=1S/C11H18N2O/c1-8(2)7-13-11(14)6-5-10(12-13)9(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyRNWPPUMCTMUFMQ-UHFFFAOYSA-N
XLogP2.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one (CID 138715793) is 2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one is CC(C)Cn1nc(C(C)C)ccc1=O.
What is the InChIKey of 2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one?
The InChIKey is RNWPPUMCTMUFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)7-13-11(14)6-5-10(12-13)9(3)4/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one?
2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one has a molecular weight of 194.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 138715793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).