3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide

C11H17BrN4O2 — CID 75512508

IUPAC3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cnn(C)c(=O)c1Br
InChIInChI=1S/C11H17BrN4O2/c1-7(10(17)13-2)6-15(3)8-5-14-16(4)11(18)9(8)12/h5,7H,6H2,1-4H3,(H,13,17)
InChIKeySWYPQAZZQNBVGD-UHFFFAOYSA-N
MW317.19 g/mol
LogP0.36
Rot. Bonds4

About 3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide

3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 75512508) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID75512508
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cnn(C)c(=O)c1Br
InChIInChI=1S/C11H17BrN4O2/c1-7(10(17)13-2)6-15(3)8-5-14-16(4)11(18)9(8)12/h5,7H,6H2,1-4H3,(H,13,17)
InChIKeySWYPQAZZQNBVGD-UHFFFAOYSA-N
XLogP0.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide (CID 75512508) is 3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1cnn(C)c(=O)c1Br.
What is the InChIKey of 3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is SWYPQAZZQNBVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-7(10(17)13-2)6-15(3)8-5-14-16(4)11(18)9(8)12/h5,7H,6H2,1-4H3,(H,13,17).
What are the key properties of 3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 317.19 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 75512508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).