2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione

C10H17N3O2 — CID 71349039

IUPAC2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione
SMILESCCN(CC)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H17N3O2/c1-3-12(4-2)7-8-13-10(15)6-5-9(14)11-13/h5-6H,3-4,7-8H2,1-2H3,(H,11,14)
InChIKeyVDFBEXXHJHRAQC-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.12
Rot. Bonds5

About 2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione

2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione (PubChem CID 71349039) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione
PubChem CID71349039
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione
SMILESCCN(CC)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H17N3O2/c1-3-12(4-2)7-8-13-10(15)6-5-9(14)11-13/h5-6H,3-4,7-8H2,1-2H3,(H,11,14)
InChIKeyVDFBEXXHJHRAQC-UHFFFAOYSA-N
XLogP-0.12
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
Bis(aminoethylamino) ethyl maleamide
CID 129826976
2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 3595132
6-hydroxy-2-isopropyl-3(2H)-pyridazinone
CID 11378616
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 13628884
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
2-[2-(2,5-Dioxopyrrol-1-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 23557818
But-2-enoyl-dimethyl-(propylamino)azanium
CID 54013485
CID 58044780
CID 58044780
4-[4-(4-Hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide
CID 69094618

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione (CID 71349039) is 2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione is CCN(CC)CCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is VDFBEXXHJHRAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-12(4-2)7-8-13-10(15)6-5-9(14)11-13/h5-6H,3-4,7-8H2,1-2H3,(H,11,14).
What are the key properties of 2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione?
2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 211.26 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 71349039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).