6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

C11H16N4O2 — CID 3039781

IUPAC6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CCN(C)C)c(=O)c2noc(C)c12
InChIInChI=1S/C11H16N4O2/c1-7-9-8(2)17-13-10(9)11(16)15(12-7)6-5-14(3)4/h5-6H2,1-4H3
InChIKeyOYXWVQPPLODDFZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.56
Rot. Bonds3

About 6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 3039781) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID3039781
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CCN(C)C)c(=O)c2noc(C)c12
InChIInChI=1S/C11H16N4O2/c1-7-9-8(2)17-13-10(9)11(16)15(12-7)6-5-14(3)4/h5-6H2,1-4H3
InChIKeyOYXWVQPPLODDFZ-UHFFFAOYSA-N
XLogP0.56
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 3039781) is 6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1nn(CCN(C)C)c(=O)c2noc(C)c12.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is OYXWVQPPLODDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-9-8(2)17-13-10(9)11(16)15(12-7)6-5-14(3)4/h5-6H2,1-4H3.
What are the key properties of 6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 236.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 3039781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).