5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one

C13H23BrN4O2 — CID 114446563

IUPAC5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
SMILESCCCCC(CN)Nc1cnn(CCOC)c(=O)c1Br
InChIInChI=1S/C13H23BrN4O2/c1-3-4-5-10(8-15)17-11-9-16-18(6-7-20-2)13(19)12(11)14/h9-10,17H,3-8,15H2,1-2H3
InChIKeyZIFTZIPBWIAFRP-UHFFFAOYSA-N
MW347.26 g/mol
LogP1.58
Rot. Bonds9

About 5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one

5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 114446563) has the molecular formula C13H23BrN4O2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID114446563
Molecular FormulaC13H23BrN4O2
Molecular Weight347.26 g/mol
Exact Mass346.10
IUPAC Name5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
SMILESCCCCC(CN)Nc1cnn(CCOC)c(=O)c1Br
InChIInChI=1S/C13H23BrN4O2/c1-3-4-5-10(8-15)17-11-9-16-18(6-7-20-2)13(19)12(11)14/h9-10,17H,3-8,15H2,1-2H3
InChIKeyZIFTZIPBWIAFRP-UHFFFAOYSA-N
XLogP1.58
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-aminohexan-2-ylamino)-4-bromo-2-propan-2-ylpyridazin-3-one
CID 114446573
4-bromo-5-(hex-1-yn-3-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 106231430
5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one
CID 114446557
5-[(1-amino-3-methylbutan-2-yl)amino]-4-bromo-2-butylpyridazin-3-one
CID 114445725
4-bromo-5-(but-3-yn-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114443545
4-bromo-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114439982
4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114436918
4-bromo-5-[3-(hydroxymethyl)pentan-3-ylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114437190
2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114435402
4-bromo-2-(2-methoxyethyl)-5-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 114442483
4-bromo-2-(2-methoxyethyl)-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-one
CID 102913926
4-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]butanamide
CID 114433893

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one (CID 114446563) is 5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one is CCCCC(CN)Nc1cnn(CCOC)c(=O)c1Br.
What is the InChIKey of 5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is ZIFTZIPBWIAFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O2/c1-3-4-5-10(8-15)17-11-9-16-18(6-7-20-2)13(19)12(11)14/h9-10,17H,3-8,15H2,1-2H3.
What are the key properties of 5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one?
5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 347.26 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 114446563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).