3-ethyl-1-pyridazin-4-ylpentan-1-one

C11H16N2O — CID 105125376

IUPAC3-ethyl-1-pyridazin-4-ylpentan-1-one
SMILESCCC(CC)CC(=O)c1ccnnc1
InChIInChI=1S/C11H16N2O/c1-3-9(4-2)7-11(14)10-5-6-12-13-8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyRRYCNIQMDJGFRV-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.49
Rot. Bonds5

About 3-ethyl-1-pyridazin-4-ylpentan-1-one

3-ethyl-1-pyridazin-4-ylpentan-1-one (PubChem CID 105125376) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-ethyl-1-pyridazin-4-ylpentan-1-one.

Molecular Properties

Compound Name3-ethyl-1-pyridazin-4-ylpentan-1-one
PubChem CID105125376
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-ethyl-1-pyridazin-4-ylpentan-1-one
SMILESCCC(CC)CC(=O)c1ccnnc1
InChIInChI=1S/C11H16N2O/c1-3-9(4-2)7-11(14)10-5-6-12-13-8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyRRYCNIQMDJGFRV-UHFFFAOYSA-N
XLogP2.49
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-1-pyridazin-4-ylethanone
CID 88913580
3-oxo-3-pyridazin-4-ylpropanenitrile
CID 131087393
N-(1-bromobutan-2-yl)pyridazine-4-carboxamide
CID 104672670
N-(1-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104671529
3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one
CID 105125350
2-(2-methylphenyl)-1-pyridazin-4-ylethanone
CID 105079516
ethyl pyridazine-4-carboxylate;hydron
CID 174586916
1-(2-chloro-4-pyridinyl)-3-ethylhexan-1-one
CID 131863187
pyridazine-4-carboxamide
CID 10920505
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
N-hex-5-yn-3-ylpyridazine-4-carboxamide
CID 115769387
2-(1-methylimidazol-2-yl)-1-pyridazin-4-ylethanone
CID 105116274

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-pyridazin-4-ylpentan-1-one?
The IUPAC name of 3-ethyl-1-pyridazin-4-ylpentan-1-one (CID 105125376) is 3-ethyl-1-pyridazin-4-ylpentan-1-one.
What is the SMILES notation for 3-ethyl-1-pyridazin-4-ylpentan-1-one?
The canonical SMILES for 3-ethyl-1-pyridazin-4-ylpentan-1-one is CCC(CC)CC(=O)c1ccnnc1.
What is the InChIKey of 3-ethyl-1-pyridazin-4-ylpentan-1-one?
The InChIKey is RRYCNIQMDJGFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-9(4-2)7-11(14)10-5-6-12-13-8-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 3-ethyl-1-pyridazin-4-ylpentan-1-one?
3-ethyl-1-pyridazin-4-ylpentan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-pyridazin-4-ylpentan-1-one is sourced from PubChem (CID 105125376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).