2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one

C14H24N2O — CID 91213418

IUPAC2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one
SMILESCC(C)CC(C)(C)n1nccc(C(C)C)c1=O
InChIInChI=1S/C14H24N2O/c1-10(2)9-14(5,6)16-13(17)12(11(3)4)7-8-15-16/h7-8,10-11H,9H2,1-6H3
InChIKeyDOTZMEMTIPLAMG-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.15
Rot. Bonds4

About 2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one

2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one (PubChem CID 91213418) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one
PubChem CID91213418
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one
SMILESCC(C)CC(C)(C)n1nccc(C(C)C)c1=O
InChIInChI=1S/C14H24N2O/c1-10(2)9-14(5,6)16-13(17)12(11(3)4)7-8-15-16/h7-8,10-11H,9H2,1-6H3
InChIKeyDOTZMEMTIPLAMG-UHFFFAOYSA-N
XLogP3.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one (CID 91213418) is 2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one is CC(C)CC(C)(C)n1nccc(C(C)C)c1=O.
What is the InChIKey of 2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one?
The InChIKey is DOTZMEMTIPLAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)9-14(5,6)16-13(17)12(11(3)4)7-8-15-16/h7-8,10-11H,9H2,1-6H3.
What are the key properties of 2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one?
2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one has a molecular weight of 236.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 91213418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).