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

C9H13N3O3 — CID 60637763

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H13N3O3/c1-2-5-10-8(14)6-12-9(15)4-3-7(13)11-12/h3-4H,2,5-6H2,1H3,(H,10,14)(H,11,13)
InChIKeyADRDXSFBFBEMBL-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.94
Rot. Bonds4

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide (PubChem CID 60637763) 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-propylacetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide
PubChem CID60637763
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H13N3O3/c1-2-5-10-8(14)6-12-9(15)4-3-7(13)11-12/h3-4H,2,5-6H2,1H3,(H,10,14)(H,11,13)
InChIKeyADRDXSFBFBEMBL-UHFFFAOYSA-N
XLogP-0.94
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
Bis(aminoethylamino) ethyl maleamide
CID 129826976
Einecs 253-082-7
CID 21278031
2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 3595132
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
N-but-2-enyl-2-hydrazinyl-2-oxoacetamide
CID 54278312
CID 58044780
CID 58044780
2-(2-oxopropyl)-1H-pyridazine-3,6-dione
CID 58815500
N'-methyl-2-(prop-2-enylamino)-N-propylacetohydrazide
CID 88314717
N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide
CID 88527441
2-(2,5-dioxopyrrol-1-yl)-N'-methylacetohydrazide
CID 132082721

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide (CID 60637763) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide is CCCNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide?
The InChIKey is ADRDXSFBFBEMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-5-10-8(14)6-12-9(15)4-3-7(13)11-12/h3-4H,2,5-6H2,1H3,(H,10,14)(H,11,13).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide has a molecular weight of 211.22 g/mol, XLogP of -0.94, 4 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-propylacetamide is sourced from PubChem (CID 60637763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).