3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide

C9H13N3O3 — CID 55219479

IUPAC3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide
SMILESCc1c(C)c(=O)n(CCC(N)=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-5-6(2)9(15)12(11-8(5)14)4-3-7(10)13/h3-4H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyAHAZUFXRUPXBIA-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.97
Rot. Bonds3

About 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide

3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide (PubChem CID 55219479) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide
PubChem CID55219479
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide
SMILESCc1c(C)c(=O)n(CCC(N)=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-5-6(2)9(15)12(11-8(5)14)4-3-7(10)13/h3-4H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyAHAZUFXRUPXBIA-UHFFFAOYSA-N
XLogP-0.97
TPSA97.95 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 ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide?
The IUPAC name of 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide (CID 55219479) is 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide?
The canonical SMILES for 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide is Cc1c(C)c(=O)n(CCC(N)=O)[nH]c1=O.
What is the InChIKey of 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide?
The InChIKey is AHAZUFXRUPXBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-6(2)9(15)12(11-8(5)14)4-3-7(10)13/h3-4H2,1-2H3,(H2,10,13)(H,11,14).
What are the key properties of 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide?
3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide has a molecular weight of 211.22 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)propanamide is sourced from PubChem (CID 55219479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).