methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate

C11H17BrN4O3 — CID 114432337

IUPACmethyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cnn(CCN(C)C)c(=O)c1Br
InChIInChI=1S/C11H17BrN4O3/c1-15(2)4-5-16-11(18)10(12)8(6-14-16)13-7-9(17)19-3/h6,13H,4-5,7H2,1-3H3
InChIKeyXNRPNDUONFQRSF-UHFFFAOYSA-N
MW333.19 g/mol
LogP0.15
Rot. Bonds6

About methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate

methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate (PubChem CID 114432337) has the molecular formula C11H17BrN4O3 and a molecular weight of 333.19 g/mol. Its IUPAC name is methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate
PubChem CID114432337
Molecular FormulaC11H17BrN4O3
Molecular Weight333.19 g/mol
Exact Mass332.05
IUPAC Namemethyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cnn(CCN(C)C)c(=O)c1Br
InChIInChI=1S/C11H17BrN4O3/c1-15(2)4-5-16-11(18)10(12)8(6-14-16)13-7-9(17)19-3/h6,13H,4-5,7H2,1-3H3
InChIKeyXNRPNDUONFQRSF-UHFFFAOYSA-N
XLogP0.15
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate with MolForge

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Related Compounds

2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
CID 114433019
methyl 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]acetate
CID 114432347
4-bromo-2-[2-(dimethylamino)ethyl]-5-[2-(2-methoxyethylamino)ethylamino]pyridazin-3-one
CID 114447121
2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide
CID 114434932
4-bromo-5-(2-cyclopropylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439471
4-bromo-2-[2-(dimethylamino)ethyl]-5-(pentan-3-ylamino)pyridazin-3-one
CID 114431621
4-bromo-2-[2-(dimethylamino)ethyl]-5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridazin-3-one
CID 107866240
4-bromo-2-[2-(dimethylamino)ethyl]-5-(4-hydroxypentan-2-ylamino)pyridazin-3-one
CID 114441339
4-bromo-2-[2-(dimethylamino)ethyl]-5-(1,3-thiazol-4-ylmethylamino)pyridazin-3-one
CID 114438059
4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 106402588
methyl 2-[5-bromo-4-[2-(diethylamino)ethylamino]-6-oxopyridazin-1-yl]acetate
CID 114431857
methyl 2-[5-bromo-6-oxo-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridazin-1-yl]acetate
CID 114433633

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate (CID 114432337) is methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate is COC(=O)CNc1cnn(CCN(C)C)c(=O)c1Br.
What is the InChIKey of methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate?
The InChIKey is XNRPNDUONFQRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O3/c1-15(2)4-5-16-11(18)10(12)8(6-14-16)13-7-9(17)19-3/h6,13H,4-5,7H2,1-3H3.
What are the key properties of methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate?
methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate has a molecular weight of 333.19 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate is sourced from PubChem (CID 114432337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).