ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate

C11H14N4O2 — CID 61097642

IUPACethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate
SMILESCCOC(=O)CNc1nnc(C)c(C)c1C#N
InChIInChI=1S/C11H14N4O2/c1-4-17-10(16)6-13-11-9(5-12)7(2)8(3)14-15-11/h4,6H2,1-3H3,(H,13,15)
InChIKeyQMFDDSDIOUPZGC-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.94
Rot. Bonds4

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

ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate (PubChem CID 61097642) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate
PubChem CID61097642
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Nameethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate
SMILESCCOC(=O)CNc1nnc(C)c(C)c1C#N
InChIInChI=1S/C11H14N4O2/c1-4-17-10(16)6-13-11-9(5-12)7(2)8(3)14-15-11/h4,6H2,1-3H3,(H,13,15)
InChIKeyQMFDDSDIOUPZGC-UHFFFAOYSA-N
XLogP0.94
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-ethyl-2-hydroxybutyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 78982316
3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 55139329
2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-2-methylbutanoic acid
CID 80508730
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 61096643
ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate
CID 62672173
2-[[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]methyl]-3-methylbutanoic acid
CID 80508263
6-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-4,4-dimethylhexanoic acid
CID 80508560
methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate
CID 80509437
5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
CID 78966585
ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate
CID 80993875
5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
CID 62639917
3-[[4-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 107232346

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate?
The IUPAC name of ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate (CID 61097642) is ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate is CCOC(=O)CNc1nnc(C)c(C)c1C#N.
What is the InChIKey of ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate?
The InChIKey is QMFDDSDIOUPZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-4-17-10(16)6-13-11-9(5-12)7(2)8(3)14-15-11/h4,6H2,1-3H3,(H,13,15).
What are the key properties of ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate?
ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate has a molecular weight of 234.26 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate is sourced from PubChem (CID 61097642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).