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

C12H19N3O4 — CID 107155334

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)CC(O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H19N3O4/c1-8(2)5-9(16)6-13-11(18)7-15-12(19)4-3-10(17)14-15/h3-4,8-9,16H,5-7H2,1-2H3,(H,13,18)(H,14,17)
InChIKeyCPAJYKJKFSTODR-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.94
Rot. Bonds6

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-4-methylpentyl)acetamide (PubChem CID 107155334) 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-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-4-methylpentyl)acetamide
PubChem CID107155334
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)CC(O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H19N3O4/c1-8(2)5-9(16)6-13-11(18)7-15-12(19)4-3-10(17)14-15/h3-4,8-9,16H,5-7H2,1-2H3,(H,13,18)(H,14,17)
InChIKeyCPAJYKJKFSTODR-UHFFFAOYSA-N
XLogP-0.94
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 ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-[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
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-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112300
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-[(2-hydroxycyclopentyl)methyl]acetamide
CID 65832566
2-[2-(3-hydroxy-3-propylazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 65927871
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-(2-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-4-methylpentyl)acetamide (CID 107155334) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-4-methylpentyl)acetamide is CC(C)CC(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-4-methylpentyl)acetamide?
The InChIKey is CPAJYKJKFSTODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8(2)5-9(16)6-13-11(18)7-15-12(19)4-3-10(17)14-15/h3-4,8-9,16H,5-7H2,1-2H3,(H,13,18)(H,14,17).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-4-methylpentyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-4-methylpentyl)acetamide has a molecular weight of 269.30 g/mol, XLogP of -0.94, 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-4-methylpentyl)acetamide is sourced from PubChem (CID 107155334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).