2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide

C10H16N4O2 — CID 116788262

IUPAC2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1nc(N)ccc1=O
InChIInChI=1S/C10H16N4O2/c1-3-13(4-2)10(16)7-14-9(15)6-5-8(11)12-14/h5-6H,3-4,7H2,1-2H3,(H2,11,12)
InChIKeyFEDNWUZXZCXJGQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.31
Rot. Bonds4

About 2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide

2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide (PubChem CID 116788262) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide
PubChem CID116788262
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1nc(N)ccc1=O
InChIInChI=1S/C10H16N4O2/c1-3-13(4-2)10(16)7-14-9(15)6-5-8(11)12-14/h5-6H,3-4,7H2,1-2H3,(H2,11,12)
InChIKeyFEDNWUZXZCXJGQ-UHFFFAOYSA-N
XLogP-0.31
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide (CID 116788262) is 2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1nc(N)ccc1=O.
What is the InChIKey of 2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide?
The InChIKey is FEDNWUZXZCXJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-13(4-2)10(16)7-14-9(15)6-5-8(11)12-14/h5-6H,3-4,7H2,1-2H3,(H2,11,12).
What are the key properties of 2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide?
2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide has a molecular weight of 224.26 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 116788262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).