1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone

C13H13N3O — CID 105110455

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone
SMILESCc1cc(C(=O)Cc2ccncc2)c(C)nn1
InChIInChI=1S/C13H13N3O/c1-9-7-12(10(2)16-15-9)13(17)8-11-3-5-14-6-4-11/h3-7H,8H2,1-2H3
InChIKeyJJLHQQCUDCFFIJ-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.91
Rot. Bonds3

About 1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone

1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone (PubChem CID 105110455) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone
PubChem CID105110455
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone
SMILESCc1cc(C(=O)Cc2ccncc2)c(C)nn1
InChIInChI=1S/C13H13N3O/c1-9-7-12(10(2)16-15-9)13(17)8-11-3-5-14-6-4-11/h3-7H,8H2,1-2H3
InChIKeyJJLHQQCUDCFFIJ-UHFFFAOYSA-N
XLogP1.91
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone
CID 105079378
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105103740
2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105081631
1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone
CID 55120466
1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 105118017
1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone
CID 105087972
1-(4-methylphenyl)-2-pyridin-4-ylethanone
CID 11367827
1-(3,6-dimethylpyridazin-4-yl)hexan-1-one
CID 105087649
1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone
CID 105110466
1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone
CID 22142437
1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone
CID 58514854
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105109801

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone (CID 105110455) is 1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone is Cc1cc(C(=O)Cc2ccncc2)c(C)nn1.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone?
The InChIKey is JJLHQQCUDCFFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-7-12(10(2)16-15-9)13(17)8-11-3-5-14-6-4-11/h3-7H,8H2,1-2H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone?
1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone has a molecular weight of 227.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 105110455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).