4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one

C13H18BrN3O — CID 114435700

IUPAC4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one
SMILESCCn1ncc(NC(C2CC2)C2CC2)c(Br)c1=O
InChIInChI=1S/C13H18BrN3O/c1-2-17-13(18)11(14)10(7-15-17)16-12(8-3-4-8)9-5-6-9/h7-9,12,16H,2-6H2,1H3
InChIKeyYDJPHDKYDREBQE-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.63
Rot. Bonds5

About 4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one

4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one (PubChem CID 114435700) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one
PubChem CID114435700
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one
SMILESCCn1ncc(NC(C2CC2)C2CC2)c(Br)c1=O
InChIInChI=1S/C13H18BrN3O/c1-2-17-13(18)11(14)10(7-15-17)16-12(8-3-4-8)9-5-6-9/h7-9,12,16H,2-6H2,1H3
InChIKeyYDJPHDKYDREBQE-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one
CID 114445638
4-bromo-5-(dicyclopropylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114435685
4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one
CID 114433336
4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114433364
4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
CID 114435834
4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one
CID 114438460
2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114435614
4-bromo-2-ethyl-5-(2,2,3-trimethylbutylamino)pyridazin-3-one
CID 114100754
4-bromo-2-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridazin-3-one
CID 114436218
methyl 2-[5-bromo-4-(1-cyclopropylethylamino)-6-oxopyridazin-1-yl]acetate
CID 114433328
4-bromo-2-butyl-5-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438353
4-bromo-2-ethyl-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-one
CID 102913854

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one (CID 114435700) is 4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one is CCn1ncc(NC(C2CC2)C2CC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one?
The InChIKey is YDJPHDKYDREBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-2-17-13(18)11(14)10(7-15-17)16-12(8-3-4-8)9-5-6-9/h7-9,12,16H,2-6H2,1H3.
What are the key properties of 4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one?
4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one has a molecular weight of 312.21 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one is sourced from PubChem (CID 114435700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).