5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one

C10H17BrN4O — CID 114444079

IUPAC5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
SMILESCCCCn1ncc(NCCN)c(Br)c1=O
InChIInChI=1S/C10H17BrN4O/c1-2-3-6-15-10(16)9(11)8(7-14-15)13-5-4-12/h7,13H,2-6,12H2,1H3
InChIKeyNSXXLTKPUFVNFU-UHFFFAOYSA-N
MW289.18 g/mol
LogP1.18
Rot. Bonds6

About 5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one

5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one (PubChem CID 114444079) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
PubChem CID114444079
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
SMILESCCCCn1ncc(NCCN)c(Br)c1=O
InChIInChI=1S/C10H17BrN4O/c1-2-3-6-15-10(16)9(11)8(7-14-15)13-5-4-12/h7,13H,2-6,12H2,1H3
InChIKeyNSXXLTKPUFVNFU-UHFFFAOYSA-N
XLogP1.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443259
4-bromo-2-butyl-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437624
4-bromo-2-butyl-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
CID 106430875
4-bromo-2-butyl-5-(3-cyclopropylpropylamino)pyridazin-3-one
CID 114443400
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106338803
3-[2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 114441187
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide
CID 114433642
4-bromo-2-butyl-5-[2-(1H-imidazol-5-yl)ethylamino]pyridazin-3-one
CID 114439392
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
5-[(1-amino-3-methylbutan-2-yl)amino]-4-bromo-2-butylpyridazin-3-one
CID 114445725
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide
CID 114441459

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one (CID 114444079) is 5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one is CCCCn1ncc(NCCN)c(Br)c1=O.
What is the InChIKey of 5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one?
The InChIKey is NSXXLTKPUFVNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-2-3-6-15-10(16)9(11)8(7-14-15)13-5-4-12/h7,13H,2-6,12H2,1H3.
What are the key properties of 5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one?
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one has a molecular weight of 289.18 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one is sourced from PubChem (CID 114444079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).