4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione

C10H14N2O3 — CID 63270782

IUPAC4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione
SMILESCC(=O)CCn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C10H14N2O3/c1-6(13)4-5-12-10(15)8(3)7(2)9(14)11-12/h4-5H2,1-3H3,(H,11,14)
InChIKeyJEXGZKYJZAZTGL-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.13
Rot. Bonds3

About 4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione

4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione (PubChem CID 63270782) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione
PubChem CID63270782
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione
SMILESCC(=O)CCn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C10H14N2O3/c1-6(13)4-5-12-10(15)8(3)7(2)9(14)11-12/h4-5H2,1-3H3,(H,11,14)
InChIKeyJEXGZKYJZAZTGL-UHFFFAOYSA-N
XLogP0.13
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione (CID 63270782) is 4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione is CC(=O)CCn1[nH]c(=O)c(C)c(C)c1=O.
What is the InChIKey of 4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione?
The InChIKey is JEXGZKYJZAZTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(13)4-5-12-10(15)8(3)7(2)9(14)11-12/h4-5H2,1-3H3,(H,11,14).
What are the key properties of 4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione?
4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione has a molecular weight of 210.23 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(3-oxobutyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63270782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).