2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide

C11H17N3O5 — CID 54993292

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
SMILESCOCC(O)CN(C)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O5/c1-13(5-8(15)7-19-2)11(18)6-14-10(17)4-3-9(16)12-14/h3-4,8,15H,5-7H2,1-2H3,(H,12,16)
InChIKeyOSEWYBLDYAUNMT-UHFFFAOYSA-N
MW271.27 g/mol
LogP-2.00
Rot. Bonds6

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide (PubChem CID 54993292) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
PubChem CID54993292
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
SMILESCOCC(O)CN(C)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O5/c1-13(5-8(15)7-19-2)11(18)6-14-10(17)4-3-9(16)12-14/h3-4,8,15H,5-7H2,1-2H3,(H,12,16)
InChIKeyOSEWYBLDYAUNMT-UHFFFAOYSA-N
XLogP-2.00
TPSA104.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxypropyl)acetamide
CID 43501159
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573293
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 54878646
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54917536
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 55083818
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60960706
2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide
CID 61233604
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 61425344
N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 61448247
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 61581755
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62333664
2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62917770

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide (CID 54993292) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide is COCC(O)CN(C)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide?
The InChIKey is OSEWYBLDYAUNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-13(5-8(15)7-19-2)11(18)6-14-10(17)4-3-9(16)12-14/h3-4,8,15H,5-7H2,1-2H3,(H,12,16).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide has a molecular weight of 271.27 g/mol, XLogP of -2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide is sourced from PubChem (CID 54993292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).