methyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate

C14H19N7O4 — CID 5293344

IUPACmethyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate
SMILESCOC(=O)COc1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)nn1
InChIInChI=1S/C14H19N7O4/c1-20(2)12-15-13(21(3)4)17-14(16-12)25-10-7-6-9(18-19-10)24-8-11(22)23-5/h6-7H,8H2,1-5H3
InChIKeyJYADXSKMEGKTET-UHFFFAOYSA-N
MW349.35 g/mol
LogP0.14
Rot. Bonds7

About methyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate

methyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate (PubChem CID 5293344) has the molecular formula C14H19N7O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is methyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate
PubChem CID5293344
Molecular FormulaC14H19N7O4
Molecular Weight349.35 g/mol
Exact Mass349.15
IUPAC Namemethyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate
SMILESCOC(=O)COc1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)nn1
InChIInChI=1S/C14H19N7O4/c1-20(2)12-15-13(21(3)4)17-14(16-12)25-10-7-6-9(18-19-10)24-8-11(22)23-5/h6-7H,8H2,1-5H3
InChIKeyJYADXSKMEGKTET-UHFFFAOYSA-N
XLogP0.14
TPSA115.69 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.35
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze methyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate
CID 56643162
(2-methoxy-2-oxoethyl) 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 1001944
2-N,2-N-dimethyl-6-[6-[2-(4-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
CID 27396194
2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
CID 27396193
4-N-ethyl-2-N,2-N-dimethyl-6-[6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl]oxy-1,3,5-triazine-2,4-diamine
CID 2938024
methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 742835
2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine
CID 2981500
methyl 2-[(5-bromo-2-pyridinyl)oxy]acetate
CID 67448774
2-[6-(dimethylamino)pyridazin-3-yl]oxyacetic acid
CID 121205048
methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate
CID 18619218
methyl 2-pyridin-2-yloxyacetate
CID 45091085
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
CID 709801

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate?
The IUPAC name of methyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate (CID 5293344) is methyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate.
What is the SMILES notation for methyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate?
The canonical SMILES for methyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate is COC(=O)COc1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)nn1.
What is the InChIKey of methyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate?
The InChIKey is JYADXSKMEGKTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O4/c1-20(2)12-15-13(21(3)4)17-14(16-12)25-10-7-6-9(18-19-10)24-8-11(22)23-5/h6-7H,8H2,1-5H3.
What are the key properties of methyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate?
methyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate has a molecular weight of 349.35 g/mol, XLogP of 0.14, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]pyridazin-3-yl]oxyacetate is sourced from PubChem (CID 5293344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).