2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide

C12H18N4O3 — CID 103218745

IUPAC2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide
SMILESCNc1cnn(CC(=O)NC2CCOCC2)c(=O)c1
InChIInChI=1S/C12H18N4O3/c1-13-10-6-12(18)16(14-7-10)8-11(17)15-9-2-4-19-5-3-9/h6-7,9,13H,2-5,8H2,1H3,(H,15,17)
InChIKeyPYJXNJLNKBMORR-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.42
Rot. Bonds4

About 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide

2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 103218745) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID103218745
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide
SMILESCNc1cnn(CC(=O)NC2CCOCC2)c(=O)c1
InChIInChI=1S/C12H18N4O3/c1-13-10-6-12(18)16(14-7-10)8-11(17)15-9-2-4-19-5-3-9/h6-7,9,13H,2-5,8H2,1H3,(H,15,17)
InChIKeyPYJXNJLNKBMORR-UHFFFAOYSA-N
XLogP-0.42
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)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-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide (CID 103218745) is 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide is CNc1cnn(CC(=O)NC2CCOCC2)c(=O)c1.
What is the InChIKey of 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is PYJXNJLNKBMORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-13-10-6-12(18)16(14-7-10)8-11(17)15-9-2-4-19-5-3-9/h6-7,9,13H,2-5,8H2,1H3,(H,15,17).
What are the key properties of 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide?
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 103218745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).