1-(3,6-dimethylpyridazin-4-yl)propan-1-one

C9H12N2O — CID 105076654

IUPAC1-(3,6-dimethylpyridazin-4-yl)propan-1-one
SMILESCCC(=O)c1cc(C)nnc1C
InChIInChI=1S/C9H12N2O/c1-4-9(12)8-5-6(2)10-11-7(8)3/h5H,4H2,1-3H3
InChIKeyUFRHGNRSIPBOJO-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.69
Rot. Bonds2

About 1-(3,6-dimethylpyridazin-4-yl)propan-1-one

1-(3,6-dimethylpyridazin-4-yl)propan-1-one (PubChem CID 105076654) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)propan-1-one
PubChem CID105076654
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)propan-1-one
SMILESCCC(=O)c1cc(C)nnc1C
InChIInChI=1S/C9H12N2O/c1-4-9(12)8-5-6(2)10-11-7(8)3/h5H,4H2,1-3H3
InChIKeyUFRHGNRSIPBOJO-UHFFFAOYSA-N
XLogP1.69
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)propan-1-one?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)propan-1-one (CID 105076654) is 1-(3,6-dimethylpyridazin-4-yl)propan-1-one.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)propan-1-one?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)propan-1-one is CCC(=O)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)propan-1-one?
The InChIKey is UFRHGNRSIPBOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-9(12)8-5-6(2)10-11-7(8)3/h5H,4H2,1-3H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)propan-1-one?
1-(3,6-dimethylpyridazin-4-yl)propan-1-one has a molecular weight of 164.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)propan-1-one is sourced from PubChem (CID 105076654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).