2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione

C10H13N3O4 — CID 60635736

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCOCC1
InChIInChI=1S/C10H13N3O4/c14-8-1-2-9(15)13(11-8)7-10(16)12-3-5-17-6-4-12/h1-2H,3-7H2,(H,11,14)
InChIKeyGBPATGJZMQDACU-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.60
Rot. Bonds2

About 2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione

2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione (PubChem CID 60635736) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione
PubChem CID60635736
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCOCC1
InChIInChI=1S/C10H13N3O4/c14-8-1-2-9(15)13(11-8)7-10(16)12-3-5-17-6-4-12/h1-2H,3-7H2,(H,11,14)
InChIKeyGBPATGJZMQDACU-UHFFFAOYSA-N
XLogP-1.60
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
CID 28888360
2-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]propanamide
CID 56876224
2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one
CID 118690658
1,2-Dihydro-4-(4-morpholinyl)-3,6-pyridazinedione
CID 154141975
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetate
CID 43407597
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43416271
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methyl-2-morpholin-4-ylbutyl)acetamide
CID 45819350
2-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 53525995
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 54878646
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate
CID 54979455
ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetate
CID 55003373
2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione
CID 55023786

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione (CID 60635736) is 2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione?
The InChIKey is GBPATGJZMQDACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-8-1-2-9(15)13(11-8)7-10(16)12-3-5-17-6-4-12/h1-2H,3-7H2,(H,11,14).
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione?
2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione has a molecular weight of 239.23 g/mol, XLogP of -1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 60635736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).