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

C12H19N3O4 — CID 107363280

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide
SMILESCCCC(C)(O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H19N3O4/c1-3-6-12(2,19)8-13-10(17)7-15-11(18)5-4-9(16)14-15/h4-5,19H,3,6-8H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyVRVFJGNOKMLAEU-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.80
Rot. Bonds6

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide (PubChem CID 107363280) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide
PubChem CID107363280
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide
SMILESCCCC(C)(O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H19N3O4/c1-3-6-12(2,19)8-13-10(17)7-15-11(18)5-4-9(16)14-15/h4-5,19H,3,6-8H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyVRVFJGNOKMLAEU-UHFFFAOYSA-N
XLogP-0.80
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246490
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-(2-hydroxy-2-methylpropyl)acetamide
CID 65110150
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112300
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65113564
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 65114035
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-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65120324
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65123297
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 65124329
2-[2-(3-hydroxy-3-propylazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 65927871
2-[2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 65935632

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide (CID 107363280) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide is CCCC(C)(O)CNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide?
The InChIKey is VRVFJGNOKMLAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-6-12(2,19)8-13-10(17)7-15-11(18)5-4-9(16)14-15/h4-5,19H,3,6-8H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpentyl)acetamide has a molecular weight of 269.30 g/mol, XLogP of -0.80, 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-(2-hydroxy-2-methylpentyl)acetamide is sourced from PubChem (CID 107363280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).