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

C12H17N3O4 — CID 102867358

IUPACN-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N(CCO)C1CCC1
InChIInChI=1S/C12H17N3O4/c16-7-6-14(9-2-1-3-9)12(19)8-15-11(18)5-4-10(17)13-15/h4-5,9,16H,1-3,6-8H2,(H,13,17)
InChIKeyNIINPZWCWOGLOT-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.09
Rot. Bonds5

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

N-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 102867358) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID102867358
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N(CCO)C1CCC1
InChIInChI=1S/C12H17N3O4/c16-7-6-14(9-2-1-3-9)12(19)8-15-11(18)5-4-10(17)13-15/h4-5,9,16H,1-3,6-8H2,(H,13,17)
InChIKeyNIINPZWCWOGLOT-UHFFFAOYSA-N
XLogP-1.09
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-2-oxo-1-pyridinyl)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102858900
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 102866026
N-cyclopentyl-2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 54994361
1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324235
2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 54878794
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 124737330
N-cyclobutyl-N-(2-hydroxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 102684894
2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102858984
(2R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 54991207
N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 102875349
N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide
CID 102684283
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 102866003

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide (CID 102867358) is N-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is NIINPZWCWOGLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-7-6-14(9-2-1-3-9)12(19)8-15-11(18)5-4-10(17)13-15/h4-5,9,16H,1-3,6-8H2,(H,13,17).
What are the key properties of N-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide?
N-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 267.28 g/mol, XLogP of -1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 102867358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).