2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide

C11H17N3O3 — CID 71899363

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O3/c1-3-4-8(2)12-10(16)7-14-11(17)6-5-9(15)13-14/h5-6,8H,3-4,7H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyKVNAICXWFRLLQN-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.16
Rot. Bonds5

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide (PubChem CID 71899363) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide
PubChem CID71899363
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O3/c1-3-4-8(2)12-10(16)7-14-11(17)6-5-9(15)13-14/h5-6,8H,3-4,7H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyKVNAICXWFRLLQN-UHFFFAOYSA-N
XLogP-0.16
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-4-[(2-amino-2-oxoethyl)-[[(2S)-2-(2-methylpropanoylamino)propanoyl]amino]amino]-N-(3-methylbutyl)-4-oxobut-2-enamide
CID 89822846
N-(2,2-dimethylpropyl)-2-[(2,5-dioxopyrrol-1-yl)amino]propanamide
CID 132261819
N-[1-(methylamino)piperidin-3-yl]prop-2-enamide
CID 172623689
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide
CID 4254899
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide
CID 5095960
2-[2-[(2E,4E)-hexa-2,4-dienoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 9503664
N-cyclopropyl-2-[2-[(2E,4E)-hexa-2,4-dienoyl]hydrazinyl]-2-oxoacetamide
CID 9505940
1-(2-Amino-1-methylbutyl)-1,2-dihydro-3,6-pyridazinedione
CID 16782849
2-(1-aminopentan-3-yl)-1H-pyridazine-3,6-dione
CID 43428362
N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
CID 45807909
2-azepan-1-yl-N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]acetamide
CID 50958758
1-{2-[(1,4-Dimethylpent-4-en-1-yl)amino]ethyl}-1,2-dihydropyridazine-3,6-dione
CID 50971964

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide (CID 71899363) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide?
The InChIKey is KVNAICXWFRLLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-4-8(2)12-10(16)7-14-11(17)6-5-9(15)13-14/h5-6,8H,3-4,7H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide has a molecular weight of 239.27 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 71899363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).