N-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide

C9H12N4O3 — CID 91990790

IUPACN-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide
SMILESCC(=O)NN=CCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H12N4O3/c1-7(14)11-10-5-2-6-13-9(16)4-3-8(15)12-13/h3-5H,2,6H2,1H3,(H,11,14)(H,12,15)
InChIKeyBFXNMQVWZHJPSV-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.95
Rot. Bonds4

About N-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide

N-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide (PubChem CID 91990790) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide.

Molecular Properties

Compound NameN-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide
PubChem CID91990790
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide
SMILESCC(=O)NN=CCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H12N4O3/c1-7(14)11-10-5-2-6-13-9(16)4-3-8(15)12-13/h3-5H,2,6H2,1H3,(H,11,14)(H,12,15)
InChIKeyBFXNMQVWZHJPSV-UHFFFAOYSA-N
XLogP-0.95
TPSA96.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide?
The IUPAC name of N-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide (CID 91990790) is N-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide.
What is the SMILES notation for N-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide?
The canonical SMILES for N-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide is CC(=O)NN=CCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of N-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide?
The InChIKey is BFXNMQVWZHJPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-7(14)11-10-5-2-6-13-9(16)4-3-8(15)12-13/h3-5H,2,6H2,1H3,(H,11,14)(H,12,15).
What are the key properties of N-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide?
N-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide has a molecular weight of 224.22 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,6-dioxo-1H-pyridazin-2-yl)propylideneamino]acetamide is sourced from PubChem (CID 91990790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).