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

C13H20N4O2 — CID 3039782

IUPAC6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCCN(CC)CCn1nc(C)c2c(C)onc2c1=O
InChIInChI=1S/C13H20N4O2/c1-5-16(6-2)7-8-17-13(18)12-11(9(3)14-17)10(4)19-15-12/h5-8H2,1-4H3
InChIKeyVYHDBXQGKXAQDV-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.34
Rot. Bonds5

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

6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 3039782) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID3039782
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCCN(CC)CCn1nc(C)c2c(C)onc2c1=O
InChIInChI=1S/C13H20N4O2/c1-5-16(6-2)7-8-17-13(18)12-11(9(3)14-17)10(4)19-15-12/h5-8H2,1-4H3
InChIKeyVYHDBXQGKXAQDV-UHFFFAOYSA-N
XLogP1.34
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 3039782) is 6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is CCN(CC)CCn1nc(C)c2c(C)onc2c1=O.
What is the InChIKey of 6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is VYHDBXQGKXAQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-5-16(6-2)7-8-17-13(18)12-11(9(3)14-17)10(4)19-15-12/h5-8H2,1-4H3.
What are the key properties of 6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 264.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 3039782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).