2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide

C10H16N4O3 — CID 103218290

IUPAC2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C10H16N4O3/c1-17-4-2-3-12-9(15)7-14-10(16)5-8(11)6-13-14/h5-6H,2-4,7,11H2,1H3,(H,12,15)
InChIKeyIRVQNFUZYSFSTF-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.02
Rot. Bonds6

About 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide

2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 103218290) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide
PubChem CID103218290
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C10H16N4O3/c1-17-4-2-3-12-9(15)7-14-10(16)5-8(11)6-13-14/h5-6H,2-4,7,11H2,1H3,(H,12,15)
InChIKeyIRVQNFUZYSFSTF-UHFFFAOYSA-N
XLogP-1.02
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)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 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide (CID 103218290) is 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1ncc(N)cc1=O.
What is the InChIKey of 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is IRVQNFUZYSFSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-17-4-2-3-12-9(15)7-14-10(16)5-8(11)6-13-14/h5-6H,2-4,7,11H2,1H3,(H,12,15).
What are the key properties of 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide?
2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 240.26 g/mol, XLogP of -1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 103218290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).