4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one

C11H14BrN5O3 — CID 106418516

IUPAC4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one
SMILESCc1nc(CCNc2cnn(CCO)c(=O)c2Br)no1
InChIInChI=1S/C11H14BrN5O3/c1-7-15-9(16-20-7)2-3-13-8-6-14-17(4-5-18)11(19)10(8)12/h6,13,18H,2-5H2,1H3
InChIKeyYOHNCYYVEORCRS-UHFFFAOYSA-N
MW344.17 g/mol
LogP0.34
Rot. Bonds6

About 4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one

4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one (PubChem CID 106418516) has the molecular formula C11H14BrN5O3 and a molecular weight of 344.17 g/mol. Its IUPAC name is 4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one
PubChem CID106418516
Molecular FormulaC11H14BrN5O3
Molecular Weight344.17 g/mol
Exact Mass343.03
IUPAC Name4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one
SMILESCc1nc(CCNc2cnn(CCO)c(=O)c2Br)no1
InChIInChI=1S/C11H14BrN5O3/c1-7-15-9(16-20-7)2-3-13-8-6-14-17(4-5-18)11(19)10(8)12/h6,13,18H,2-5H2,1H3
InChIKeyYOHNCYYVEORCRS-UHFFFAOYSA-N
XLogP0.34
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 106402637
4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 106402588
4-bromo-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106402634
4-bromo-2-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 113243855
tert-butyl N-[2-[[5-bromo-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate
CID 104933135
4-bromo-2-(2-hydroxyethyl)-5-(3-methylsulfinylpropylamino)pyridazin-3-one
CID 114442593
4-bromo-2-(2-hydroxyethyl)-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]pyridazin-3-one
CID 114436732
5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one
CID 106418541
4-bromo-2-(2-hydroxyethyl)-5-[2-(4-methylcyclohexyl)ethylamino]pyridazin-3-one
CID 114438524
3-[[5-bromo-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 106277890
4-bromo-2-(2-hydroxyethyl)-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one
CID 106325980
4-bromo-5-[3-(cyclopropylamino)propylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114443989

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one (CID 106418516) is 4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one is Cc1nc(CCNc2cnn(CCO)c(=O)c2Br)no1.
What is the InChIKey of 4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one?
The InChIKey is YOHNCYYVEORCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O3/c1-7-15-9(16-20-7)2-3-13-8-6-14-17(4-5-18)11(19)10(8)12/h6,13,18H,2-5H2,1H3.
What are the key properties of 4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one?
4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one has a molecular weight of 344.17 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 106418516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).