methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate

C12H16N4O2 — CID 80509437

IUPACmethyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate
SMILESCCc1nnc(NCC(=O)OC)c(C#N)c1CC
InChIInChI=1S/C12H16N4O2/c1-4-8-9(6-13)12(14-7-11(17)18-3)16-15-10(8)5-2/h4-5,7H2,1-3H3,(H,14,16)
InChIKeyJGXMVBFLVRMWKU-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.06
Rot. Bonds5

About methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate

methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate (PubChem CID 80509437) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate
PubChem CID80509437
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Namemethyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate
SMILESCCc1nnc(NCC(=O)OC)c(C#N)c1CC
InChIInChI=1S/C12H16N4O2/c1-4-8-9(6-13)12(14-7-11(17)18-3)16-15-10(8)5-2/h4-5,7H2,1-3H3,(H,14,16)
InChIKeyJGXMVBFLVRMWKU-UHFFFAOYSA-N
XLogP1.06
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate?
The IUPAC name of methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate (CID 80509437) is methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate is CCc1nnc(NCC(=O)OC)c(C#N)c1CC.
What is the InChIKey of methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate?
The InChIKey is JGXMVBFLVRMWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-4-8-9(6-13)12(14-7-11(17)18-3)16-15-10(8)5-2/h4-5,7H2,1-3H3,(H,14,16).
What are the key properties of methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate?
methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate has a molecular weight of 248.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate is sourced from PubChem (CID 80509437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).