2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide

C11H17ClN4O — CID 104513610

IUPAC2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1ccc(Cl)nn1
InChIInChI=1S/C11H17ClN4O/c1-3-6-13-11(17)8-16(2)7-9-4-5-10(12)15-14-9/h4-5H,3,6-8H2,1-2H3,(H,13,17)
InChIKeyVZQUGHPFARYOTR-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.09
Rot. Bonds6

About 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide

2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide (PubChem CID 104513610) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide
PubChem CID104513610
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1ccc(Cl)nn1
InChIInChI=1S/C11H17ClN4O/c1-3-6-13-11(17)8-16(2)7-9-4-5-10(12)15-14-9/h4-5H,3,6-8H2,1-2H3,(H,13,17)
InChIKeyVZQUGHPFARYOTR-UHFFFAOYSA-N
XLogP1.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 104513833
2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide
CID 79242742
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
CID 107113242
4-fluoro-3-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoic acid
CID 107452224
2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide
CID 103060576
2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide
CID 18083023
2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide
CID 104513608
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 63585474
2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide
CID 18124346
2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide
CID 62470888

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide (CID 104513610) is 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1ccc(Cl)nn1.
What is the InChIKey of 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide?
The InChIKey is VZQUGHPFARYOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-3-6-13-11(17)8-16(2)7-9-4-5-10(12)15-14-9/h4-5H,3,6-8H2,1-2H3,(H,13,17).
What are the key properties of 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide?
2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide has a molecular weight of 256.74 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 104513610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).