4,5-diethyl-1,2-dimethylpyridazine-3,6-dione

C10H16N2O2 — CID 118408753

IUPAC4,5-diethyl-1,2-dimethylpyridazine-3,6-dione
SMILESCCc1c(CC)c(=O)n(C)n(C)c1=O
InChIInChI=1S/C10H16N2O2/c1-5-7-8(6-2)10(14)12(4)11(3)9(7)13/h5-6H2,1-4H3
InChIKeyAUIFSJGXBMLLSI-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.21
Rot. Bonds2

About 4,5-diethyl-1,2-dimethylpyridazine-3,6-dione

4,5-diethyl-1,2-dimethylpyridazine-3,6-dione (PubChem CID 118408753) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,5-diethyl-1,2-dimethylpyridazine-3,6-dione.

Molecular Properties

Compound Name4,5-diethyl-1,2-dimethylpyridazine-3,6-dione
PubChem CID118408753
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4,5-diethyl-1,2-dimethylpyridazine-3,6-dione
SMILESCCc1c(CC)c(=O)n(C)n(C)c1=O
InChIInChI=1S/C10H16N2O2/c1-5-7-8(6-2)10(14)12(4)11(3)9(7)13/h5-6H2,1-4H3
InChIKeyAUIFSJGXBMLLSI-UHFFFAOYSA-N
XLogP0.21
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,2-dimethylpyridazine-3,6-dione?
The IUPAC name of 4,5-diethyl-1,2-dimethylpyridazine-3,6-dione (CID 118408753) is 4,5-diethyl-1,2-dimethylpyridazine-3,6-dione.
What is the SMILES notation for 4,5-diethyl-1,2-dimethylpyridazine-3,6-dione?
The canonical SMILES for 4,5-diethyl-1,2-dimethylpyridazine-3,6-dione is CCc1c(CC)c(=O)n(C)n(C)c1=O.
What is the InChIKey of 4,5-diethyl-1,2-dimethylpyridazine-3,6-dione?
The InChIKey is AUIFSJGXBMLLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-7-8(6-2)10(14)12(4)11(3)9(7)13/h5-6H2,1-4H3.
What are the key properties of 4,5-diethyl-1,2-dimethylpyridazine-3,6-dione?
4,5-diethyl-1,2-dimethylpyridazine-3,6-dione has a molecular weight of 196.25 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,2-dimethylpyridazine-3,6-dione is sourced from PubChem (CID 118408753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).