2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide

C11H17N3O4 — CID 66106200

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide
SMILESCC(CCO)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O4/c1-8(4-5-15)6-12-10(17)7-14-11(18)3-2-9(16)13-14/h2-3,8,15H,4-7H2,1H3,(H,12,17)(H,13,16)
InChIKeyIDFYIDXVRLGNLN-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.33
Rot. Bonds6

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide (PubChem CID 66106200) 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-(4-hydroxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide
PubChem CID66106200
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide
SMILESCC(CCO)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O4/c1-8(4-5-15)6-12-10(17)7-14-11(18)3-2-9(16)13-14/h2-3,8,15H,4-7H2,1H3,(H,12,17)(H,13,16)
InChIKeyIDFYIDXVRLGNLN-UHFFFAOYSA-N
XLogP-1.33
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide
CID 43500367
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 43500440
2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 54878794
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 55082397
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246490
2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62371663
N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 63295368
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 64555582
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 64911783
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031435
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114984
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 65970836

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide (CID 66106200) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide is CC(CCO)CNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide?
The InChIKey is IDFYIDXVRLGNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-8(4-5-15)6-12-10(17)7-14-11(18)3-2-9(16)13-14/h2-3,8,15H,4-7H2,1H3,(H,12,17)(H,13,16).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxy-2-methylbutyl)acetamide has a molecular weight of 255.27 g/mol, XLogP of -1.33, 6 rotatable bonds, 3 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-(4-hydroxy-2-methylbutyl)acetamide is sourced from PubChem (CID 66106200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).