1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one

C11H16N2O — CID 105076601

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one
SMILESCCc1nnc(C)cc1C(=O)C(C)C
InChIInChI=1S/C11H16N2O/c1-5-10-9(11(14)7(2)3)6-8(4)12-13-10/h6-7H,5H2,1-4H3
InChIKeyWVUCZDQFNNETOA-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.19
Rot. Bonds3

About 1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one

1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one (PubChem CID 105076601) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one
PubChem CID105076601
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one
SMILESCCc1nnc(C)cc1C(=O)C(C)C
InChIInChI=1S/C11H16N2O/c1-5-10-9(11(14)7(2)3)6-8(4)12-13-10/h6-7H,5H2,1-4H3
InChIKeyWVUCZDQFNNETOA-UHFFFAOYSA-N
XLogP2.19
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one (CID 105076601) is 1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one is CCc1nnc(C)cc1C(=O)C(C)C.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one?
The InChIKey is WVUCZDQFNNETOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-5-10-9(11(14)7(2)3)6-8(4)12-13-10/h6-7H,5H2,1-4H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one?
1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 105076601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).