2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide

C10H15BrN4O2 — CID 115577016

IUPAC2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cn[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O2/c1-3-4-12-9(16)6(2)14-7-5-13-15-10(17)8(7)11/h5-6H,3-4H2,1-2H3,(H,12,16)(H2,14,15,17)
InChIKeyNMZNTLNUIKWXBP-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.86
Rot. Bonds5

About 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide

2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide (PubChem CID 115577016) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide
PubChem CID115577016
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cn[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O2/c1-3-4-12-9(16)6(2)14-7-5-13-15-10(17)8(7)11/h5-6H,3-4H2,1-2H3,(H,12,16)(H2,14,15,17)
InChIKeyNMZNTLNUIKWXBP-UHFFFAOYSA-N
XLogP0.86
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one
CID 115577041
5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one
CID 114386240
5-bromo-4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
CID 114386278
2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-3-methylbutanamide
CID 106346090
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide
CID 136956505
5-bromo-4-(hex-1-yn-3-ylamino)-1H-pyridazin-6-one
CID 106231600
5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one
CID 115576956
5-bromo-4-(4-ethylsulfanylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114386315
5-bromo-4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyridazin-6-one
CID 114386142
5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one
CID 114386132
methyl 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]acetate
CID 114385913
2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114435614

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide (CID 115577016) is 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1cn[nH]c(=O)c1Br.
What is the InChIKey of 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide?
The InChIKey is NMZNTLNUIKWXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-3-4-12-9(16)6(2)14-7-5-13-15-10(17)8(7)11/h5-6H,3-4H2,1-2H3,(H,12,16)(H2,14,15,17).
What are the key properties of 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide?
2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide has a molecular weight of 303.16 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 115577016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).