(2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

C13H16N4O — CID 114283513

IUPAC(2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1cnc(C)n1C
InChIInChI=1S/C13H16N4O/c1-5-11-10(6-8(2)15-16-11)13(18)12-7-14-9(3)17(12)4/h6-7H,5H2,1-4H3
InChIKeyXDWOFYJSTMNNEX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.62
Rot. Bonds3

About (2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

(2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (PubChem CID 114283513) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
PubChem CID114283513
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1cnc(C)n1C
InChIInChI=1S/C13H16N4O/c1-5-11-10(6-8(2)15-16-11)13(18)12-7-14-9(3)17(12)4/h6-7H,5H2,1-4H3
InChIKeyXDWOFYJSTMNNEX-UHFFFAOYSA-N
XLogP1.62
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The IUPAC name of (2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (CID 114283513) is (2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.
What is the SMILES notation for (2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The canonical SMILES for (2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is CCc1nnc(C)cc1C(=O)c1cnc(C)n1C.
What is the InChIKey of (2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The InChIKey is XDWOFYJSTMNNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-5-11-10(6-8(2)15-16-11)13(18)12-7-14-9(3)17(12)4/h6-7H,5H2,1-4H3.
What are the key properties of (2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
(2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone has a molecular weight of 244.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is sourced from PubChem (CID 114283513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).