methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate

C14H20N4O3 — CID 115534528

IUPACmethyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)c1nnc(C)c(C)c1C#N
InChIInChI=1S/C14H20N4O3/c1-10-11(2)16-17-14(12(10)9-15)18(7-8-20-3)6-5-13(19)21-4/h5-8H2,1-4H3
InChIKeyFAAWCHOJVRYDDO-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.98
Rot. Bonds7

About methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate (PubChem CID 115534528) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate
PubChem CID115534528
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Namemethyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)c1nnc(C)c(C)c1C#N
InChIInChI=1S/C14H20N4O3/c1-10-11(2)16-17-14(12(10)9-15)18(7-8-20-3)6-5-13(19)21-4/h5-8H2,1-4H3
InChIKeyFAAWCHOJVRYDDO-UHFFFAOYSA-N
XLogP0.98
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate (CID 115534528) is methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)c1nnc(C)c(C)c1C#N.
What is the InChIKey of methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is FAAWCHOJVRYDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10-11(2)16-17-14(12(10)9-15)18(7-8-20-3)6-5-13(19)21-4/h5-8H2,1-4H3.
What are the key properties of methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 292.34 g/mol, XLogP of 0.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115534528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).