6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one

C17H21N3O3 — CID 7664039

IUPAC6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one
SMILESCCN(CC)CCn1nc(-c2ccc3c(c2)OCO3)ccc1=O
InChIInChI=1S/C17H21N3O3/c1-3-19(4-2)9-10-20-17(21)8-6-14(18-20)13-5-7-15-16(11-13)23-12-22-15/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeySTNTUSQWXCNAEJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.98
Rot. Bonds6

About 6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one

6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one (PubChem CID 7664039) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one
PubChem CID7664039
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one
SMILESCCN(CC)CCn1nc(-c2ccc3c(c2)OCO3)ccc1=O
InChIInChI=1S/C17H21N3O3/c1-3-19(4-2)9-10-20-17(21)8-6-14(18-20)13-5-7-15-16(11-13)23-12-22-15/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeySTNTUSQWXCNAEJ-UHFFFAOYSA-N
XLogP1.98
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]acetate
CID 7663589
6-(1,3-benzodioxol-5-yl)-2-(naphthalen-1-ylmethyl)pyridazin-3-one
CID 7663925
2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one
CID 50843751
6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7663844
2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one
CID 7665774
2-(1,3-benzodioxol-5-ylmethyl)-6-(4-fluorophenyl)pyridazin-3-one
CID 59849703
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N,N-dibenzylacetamide
CID 121051210
6-(1,3-benzodioxol-5-yl)-2-[(3-nitrophenyl)methyl]pyridazin-3-one
CID 7663929
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylphenyl)methyl]pyridazin-3-one
CID 146083867
methyl (2R)-2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]butanoate
CID 7663599
3-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 51366122
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 121051229

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one (CID 7664039) is 6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one is CCN(CC)CCn1nc(-c2ccc3c(c2)OCO3)ccc1=O.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one?
The InChIKey is STNTUSQWXCNAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-19(4-2)9-10-20-17(21)8-6-14(18-20)13-5-7-15-16(11-13)23-12-22-15/h5-8,11H,3-4,9-10,12H2,1-2H3.
What are the key properties of 6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one?
6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one has a molecular weight of 315.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 7664039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).