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

C9H13N3O3 — CID 60634497

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H13N3O3/c1-6(2)10-8(14)5-12-9(15)4-3-7(13)11-12/h3-4,6H,5H2,1-2H3,(H,10,14)(H,11,13)
InChIKeyDMPGFBRAAVGCDV-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.94
Rot. Bonds3

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide (PubChem CID 60634497) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide
PubChem CID60634497
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H13N3O3/c1-6(2)10-8(14)5-12-9(15)4-3-7(13)11-12/h3-4,6H,5H2,1-2H3,(H,10,14)(H,11,13)
InChIKeyDMPGFBRAAVGCDV-UHFFFAOYSA-N
XLogP-0.94
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Bis(aminoethylamino) ethyl maleamide
CID 129826976
2-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-pyridazine-3,6-dione
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1-{2-[(2-Methoxy-1-methylethyl)amino]ethyl}-1,2-dihydropyridazine-3,6-dione
CID 50961301
2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 3595132
6-hydroxy-2-isopropyl-3(2H)-pyridazinone
CID 11378616
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
CID 58044780
CID 58044780
2-(2,5-Dioxopyrrol-1-yl)propanehydrazide
CID 66836198
2-(2,5-dioxopyrrol-1-yl)-N'-methylacetohydrazide
CID 132082721
N-(2,2-dimethylpropyl)-2-[(2,5-dioxopyrrol-1-yl)amino]propanamide
CID 132261819
2-[2-(dimethylamino)ethyl]-1H-pyridazine-3,6-dione
CID 138715539
N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide
CID 139442569

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide (CID 60634497) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide?
The InChIKey is DMPGFBRAAVGCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(2)10-8(14)5-12-9(15)4-3-7(13)11-12/h3-4,6H,5H2,1-2H3,(H,10,14)(H,11,13).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide has a molecular weight of 211.22 g/mol, XLogP of -0.94, 3 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-propan-2-ylacetamide is sourced from PubChem (CID 60634497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).