2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide

C8H12N4O3 — CID 105061569

IUPAC2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
SMILESCOc1ccc(=O)n(CC(N)C(N)=O)n1
InChIInChI=1S/C8H12N4O3/c1-15-6-2-3-7(13)12(11-6)4-5(9)8(10)14/h2-3,5H,4,9H2,1H3,(H2,10,14)
InChIKeyHYGGUSWWTWYJRY-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.94
Rot. Bonds4

About 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide

2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide (PubChem CID 105061569) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
PubChem CID105061569
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
SMILESCOc1ccc(=O)n(CC(N)C(N)=O)n1
InChIInChI=1S/C8H12N4O3/c1-15-6-2-3-7(13)12(11-6)4-5(9)8(10)14/h2-3,5H,4,9H2,1H3,(H2,10,14)
InChIKeyHYGGUSWWTWYJRY-UHFFFAOYSA-N
XLogP-1.94
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide (CID 105061569) is 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide is COc1ccc(=O)n(CC(N)C(N)=O)n1.
What is the InChIKey of 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide?
The InChIKey is HYGGUSWWTWYJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-15-6-2-3-7(13)12(11-6)4-5(9)8(10)14/h2-3,5H,4,9H2,1H3,(H2,10,14).
What are the key properties of 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide?
2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide has a molecular weight of 212.21 g/mol, XLogP of -1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 105061569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).