5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one

C13H23BrN4O — CID 114446777

IUPAC5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC(N)(CC)CC)c(Br)c1=O
InChIInChI=1S/C13H23BrN4O/c1-4-7-18-12(19)11(14)10(8-17-18)16-9-13(15,5-2)6-3/h8,16H,4-7,9,15H2,1-3H3
InChIKeyKYDYBZCDCTVDBV-UHFFFAOYSA-N
MW331.26 g/mol
LogP2.35
Rot. Bonds7

About 5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one

5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one (PubChem CID 114446777) has the molecular formula C13H23BrN4O and a molecular weight of 331.26 g/mol. Its IUPAC name is 5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one
PubChem CID114446777
Molecular FormulaC13H23BrN4O
Molecular Weight331.26 g/mol
Exact Mass330.11
IUPAC Name5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC(N)(CC)CC)c(Br)c1=O
InChIInChI=1S/C13H23BrN4O/c1-4-7-18-12(19)11(14)10(8-17-18)16-9-13(15,5-2)6-3/h8,16H,4-7,9,15H2,1-3H3
InChIKeyKYDYBZCDCTVDBV-UHFFFAOYSA-N
XLogP2.35
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one
CID 114436154
N-[1-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 114438200
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
4-bromo-5-(3-methylbut-2-enylamino)-2-propylpyridazin-3-one
CID 114156177
N-[3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]propyl]methanesulfonamide
CID 106337187
4-bromo-5-(2-methylsulfanylpropylamino)-2-propylpyridazin-3-one
CID 114442028
4-bromo-5-[(1-methylpyrazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114435162
4-bromo-5-[2-(5-bromothiophen-2-yl)ethylamino]-2-propylpyridazin-3-one
CID 106049014
4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114432195
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057
4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one
CID 114442219

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one?
The IUPAC name of 5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one (CID 114446777) is 5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one?
The canonical SMILES for 5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one is CCCn1ncc(NCC(N)(CC)CC)c(Br)c1=O.
What is the InChIKey of 5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one?
The InChIKey is KYDYBZCDCTVDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O/c1-4-7-18-12(19)11(14)10(8-17-18)16-9-13(15,5-2)6-3/h8,16H,4-7,9,15H2,1-3H3.
What are the key properties of 5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one?
5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one has a molecular weight of 331.26 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one is sourced from PubChem (CID 114446777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).