2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

C12H17N3O4 — CID 95286332

IUPAC2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESC[C@@H]1CN(C(=O)Cn2[nH]c(=O)ccc2=O)[C@H](C)CO1
InChIInChI=1S/C12H17N3O4/c1-8-7-19-9(2)5-14(8)12(18)6-15-11(17)4-3-10(16)13-15/h3-4,8-9H,5-7H2,1-2H3,(H,13,16)/t8-,9-/m1/s1
InChIKeyAMDHEUMMTDVUMW-RKDXNWHRSA-N
MW267.28 g/mol
LogP-0.83
Rot. Bonds2

About 2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 95286332) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID95286332
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESC[C@@H]1CN(C(=O)Cn2[nH]c(=O)ccc2=O)[C@H](C)CO1
InChIInChI=1S/C12H17N3O4/c1-8-7-19-9(2)5-14(8)12(18)6-15-11(17)4-3-10(16)13-15/h3-4,8-9H,5-7H2,1-2H3,(H,13,16)/t8-,9-/m1/s1
InChIKeyAMDHEUMMTDVUMW-RKDXNWHRSA-N
XLogP-0.83
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione with MolForge

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Related Compounds

2-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]propanamide
CID 56876224
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-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione
CID 56721913
2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione
CID 60635736
ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetate
CID 61013010
ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate
CID 61021995
ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate
CID 61022062
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate
CID 61600330
ethyl 2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate
CID 61601242
2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 71899325
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 71941541

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 95286332) is 2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is C[C@@H]1CN(C(=O)Cn2[nH]c(=O)ccc2=O)[C@H](C)CO1.
What is the InChIKey of 2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is AMDHEUMMTDVUMW-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-7-19-9(2)5-14(8)12(18)6-15-11(17)4-3-10(16)13-15/h3-4,8-9H,5-7H2,1-2H3,(H,13,16)/t8-,9-/m1/s1.
What are the key properties of 2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 267.28 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 95286332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).