2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide

C12H20BrN5O2 — CID 114433019

IUPAC2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
SMILESCN(C)CCn1ncc(NCC(=O)N(C)C)c(Br)c1=O
InChIInChI=1S/C12H20BrN5O2/c1-16(2)5-6-18-12(20)11(13)9(7-15-18)14-8-10(19)17(3)4/h7,14H,5-6,8H2,1-4H3
InChIKeyYXXBDRRWTABUKY-UHFFFAOYSA-N
MW346.23 g/mol
LogP0.07
Rot. Bonds6

About 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide

2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide (PubChem CID 114433019) has the molecular formula C12H20BrN5O2 and a molecular weight of 346.23 g/mol. Its IUPAC name is 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
PubChem CID114433019
Molecular FormulaC12H20BrN5O2
Molecular Weight346.23 g/mol
Exact Mass345.08
IUPAC Name2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
SMILESCN(C)CCn1ncc(NCC(=O)N(C)C)c(Br)c1=O
InChIInChI=1S/C12H20BrN5O2/c1-16(2)5-6-18-12(20)11(13)9(7-15-18)14-8-10(19)17(3)4/h7,14H,5-6,8H2,1-4H3
InChIKeyYXXBDRRWTABUKY-UHFFFAOYSA-N
XLogP0.07
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide with MolForge

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Related Compounds

methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate
CID 114432337
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
CID 114433014
2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide
CID 114434932
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N,N-dimethylpropanamide
CID 114434105
4-bromo-2-[2-(dimethylamino)ethyl]-5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridazin-3-one
CID 107866240
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide
CID 114441459
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-[2-(2-methoxyethylamino)ethylamino]pyridazin-3-one
CID 114447121
methyl 2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]acetate
CID 114432347
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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide (CID 114433019) is 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide is CN(C)CCn1ncc(NCC(=O)N(C)C)c(Br)c1=O.
What is the InChIKey of 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide?
The InChIKey is YXXBDRRWTABUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5O2/c1-16(2)5-6-18-12(20)11(13)9(7-15-18)14-8-10(19)17(3)4/h7,14H,5-6,8H2,1-4H3.
What are the key properties of 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide?
2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide has a molecular weight of 346.23 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 114433019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).