4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one

C12H18BrN3O2 — CID 114433364

IUPAC4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
SMILESCCn1ncc(NC(C)C2CCCO2)c(Br)c1=O
InChIInChI=1S/C12H18BrN3O2/c1-3-16-12(17)11(13)9(7-14-16)15-8(2)10-5-4-6-18-10/h7-8,10,15H,3-6H2,1-2H3
InChIKeyQSSIZLMQYLWKER-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.01
Rot. Bonds4

About 4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one

4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one (PubChem CID 114433364) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
PubChem CID114433364
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
SMILESCCn1ncc(NC(C)C2CCCO2)c(Br)c1=O
InChIInChI=1S/C12H18BrN3O2/c1-3-16-12(17)11(13)9(7-14-16)15-8(2)10-5-4-6-18-10/h7-8,10,15H,3-6H2,1-2H3
InChIKeyQSSIZLMQYLWKER-UHFFFAOYSA-N
XLogP2.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-prop-2-enylpyridazin-3-one
CID 114433350
4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114433366
4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one
CID 114435700
5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one
CID 114445638
4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one
CID 114438460
4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 115579991
4-chloro-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114433352
4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one
CID 114433336
5-chloro-2-(cyclobutylmethyl)-4-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114433355
2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114435614
4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
CID 114435834
4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114434695

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one (CID 114433364) is 4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one is CCn1ncc(NC(C)C2CCCO2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one?
The InChIKey is QSSIZLMQYLWKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-3-16-12(17)11(13)9(7-14-16)15-8(2)10-5-4-6-18-10/h7-8,10,15H,3-6H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one?
4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one has a molecular weight of 316.20 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114433364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).