methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate

C13H21N3O3 — CID 45223116

IUPACmethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate
SMILESCCCCC(C(=O)OC)n1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H21N3O3/c1-5-6-7-11(13(18)19-4)16-12(17)8-10(9-14-16)15(2)3/h8-9,11H,5-7H2,1-4H3
InChIKeyIPEQABPTICVGMT-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.21
Rot. Bonds6

About methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate

methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate (PubChem CID 45223116) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate.

Molecular Properties

Compound Namemethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate
PubChem CID45223116
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate
SMILESCCCCC(C(=O)OC)n1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H21N3O3/c1-5-6-7-11(13(18)19-4)16-12(17)8-10(9-14-16)15(2)3/h8-9,11H,5-7H2,1-4H3
InChIKeyIPEQABPTICVGMT-UHFFFAOYSA-N
XLogP1.21
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate?
The IUPAC name of methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate (CID 45223116) is methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate.
What is the SMILES notation for methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate?
The canonical SMILES for methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate is CCCCC(C(=O)OC)n1ncc(N(C)C)cc1=O.
What is the InChIKey of methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate?
The InChIKey is IPEQABPTICVGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-6-7-11(13(18)19-4)16-12(17)8-10(9-14-16)15(2)3/h8-9,11H,5-7H2,1-4H3.
What are the key properties of methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate?
methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate has a molecular weight of 267.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate is sourced from PubChem (CID 45223116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).