4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one

C11H17BrN4O — CID 104976047

IUPAC4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one
SMILESCCn1ncc(N2CCN[C@H](C)C2)c(Br)c1=O
InChIInChI=1S/C11H17BrN4O/c1-3-16-11(17)10(12)9(6-14-16)15-5-4-13-8(2)7-15/h6,8,13H,3-5,7H2,1-2H3/t8-/m1/s1
InChIKeyMIMTUZVVNXUZDL-MRVPVSSYSA-N
MW301.19 g/mol
LogP0.82
Rot. Bonds2

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

4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one (PubChem CID 104976047) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one
PubChem CID104976047
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one
SMILESCCn1ncc(N2CCN[C@H](C)C2)c(Br)c1=O
InChIInChI=1S/C11H17BrN4O/c1-3-16-11(17)10(12)9(6-14-16)15-5-4-13-8(2)7-15/h6,8,13H,3-5,7H2,1-2H3/t8-/m1/s1
InChIKeyMIMTUZVVNXUZDL-MRVPVSSYSA-N
XLogP0.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445774
4-bromo-5-[(3S)-3-methylpiperazin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 104977432
4-bromo-5-(1,4-diazepan-1-yl)-2-ethylpyridazin-3-one
CID 114430996
2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445759
5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-ethylpyridazin-3-one
CID 114443647
4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one
CID 104976171
4-bromo-5-(3,5-dimethylpiperazin-1-yl)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114445229
4,5-dibromo-2-ethylpyridazin-3-one
CID 10660506
4-bromo-2-(cyclopropylmethyl)-5-(3,5-dimethylpiperazin-1-yl)pyridazin-3-one
CID 114445214
4-bromo-2-ethyl-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one
CID 114443681
4-bromo-2-ethyl-5-(2-pyrrolidin-2-ylpiperidin-1-yl)pyridazin-3-one
CID 114444871
5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one
CID 114446601

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one (CID 104976047) is 4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one is CCn1ncc(N2CCN[C@H](C)C2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one?
The InChIKey is MIMTUZVVNXUZDL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-3-16-11(17)10(12)9(6-14-16)15-5-4-13-8(2)7-15/h6,8,13H,3-5,7H2,1-2H3/t8-/m1/s1.
What are the key properties of 4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one?
4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one has a molecular weight of 301.19 g/mol, XLogP of 0.82, 2 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-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 104976047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).