2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide

C11H17N3O4 — CID 61425344

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O4/c1-2-5-13(6-7-15)11(18)8-14-10(17)4-3-9(16)12-14/h3-4,15H,2,5-8H2,1H3,(H,12,16)
InChIKeyJURLJQHPTSXIID-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.23
Rot. Bonds6

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide (PubChem CID 61425344) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide
PubChem CID61425344
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O4/c1-2-5-13(6-7-15)11(18)8-14-10(17)4-3-9(16)12-14/h3-4,15H,2,5-8H2,1H3,(H,12,16)
InChIKeyJURLJQHPTSXIID-UHFFFAOYSA-N
XLogP-1.23
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 102867358
N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-phenylprop-2-ynyl)acetamide
CID 46992075
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62819295
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-prop-2-ynylamino]acetic acid
CID 79279236
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 46990549
(2R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 54991207
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-phenylsulfanylethyl)-N-prop-2-enylacetamide
CID 50971897
N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 60702090
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 50981672
2-carbazol-9-yl-N,N-dipropylacetamide
CID 14874688
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655946
N-butyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-hydroxyethyl)propanamide
CID 78855628

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide (CID 61425344) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide is CCCN(CCO)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide?
The InChIKey is JURLJQHPTSXIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-5-13(6-7-15)11(18)8-14-10(17)4-3-9(16)12-14/h3-4,15H,2,5-8H2,1H3,(H,12,16).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide has a molecular weight of 255.27 g/mol, XLogP of -1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide is sourced from PubChem (CID 61425344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).