2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide

C10H15BrN4O2 — CID 70830673

IUPAC2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ncc(N)c(Br)c1=O
InChIInChI=1S/C10H15BrN4O2/c1-3-14(4-2)8(16)6-15-10(17)9(11)7(12)5-13-15/h5H,3-4,6,12H2,1-2H3
InChIKeyZMWOCHZMKPQPGQ-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.46
Rot. Bonds4

About 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide

2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide (PubChem CID 70830673) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide
PubChem CID70830673
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ncc(N)c(Br)c1=O
InChIInChI=1S/C10H15BrN4O2/c1-3-14(4-2)8(16)6-15-10(17)9(11)7(12)5-13-15/h5H,3-4,6,12H2,1-2H3
InChIKeyZMWOCHZMKPQPGQ-UHFFFAOYSA-N
XLogP0.46
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide (CID 70830673) is 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1ncc(N)c(Br)c1=O.
What is the InChIKey of 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide?
The InChIKey is ZMWOCHZMKPQPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-3-14(4-2)8(16)6-15-10(17)9(11)7(12)5-13-15/h5H,3-4,6,12H2,1-2H3.
What are the key properties of 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide?
2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide has a molecular weight of 303.16 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-bromo-6-oxopyridazin-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 70830673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).