methyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate

C13H21N3O2 — CID 116973987

IUPACmethyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate
SMILESCOC(=O)CCN(C)c1ccc(CC(C)C)nn1
InChIInChI=1S/C13H21N3O2/c1-10(2)9-11-5-6-12(15-14-11)16(3)8-7-13(17)18-4/h5-6,10H,7-9H2,1-4H3
InChIKeyFALWJMCBUOOPFR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.67
Rot. Bonds6

About methyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate

methyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate (PubChem CID 116973987) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate
PubChem CID116973987
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate
SMILESCOC(=O)CCN(C)c1ccc(CC(C)C)nn1
InChIInChI=1S/C13H21N3O2/c1-10(2)9-11-5-6-12(15-14-11)16(3)8-7-13(17)18-4/h5-6,10H,7-9H2,1-4H3
InChIKeyFALWJMCBUOOPFR-UHFFFAOYSA-N
XLogP1.67
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate (CID 116973987) is methyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate is COC(=O)CCN(C)c1ccc(CC(C)C)nn1.
What is the InChIKey of methyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate?
The InChIKey is FALWJMCBUOOPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)9-11-5-6-12(15-14-11)16(3)8-7-13(17)18-4/h5-6,10H,7-9H2,1-4H3.
What are the key properties of methyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate?
methyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate has a molecular weight of 251.33 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[6-(2-methylpropyl)pyridazin-3-yl]amino]propanoate is sourced from PubChem (CID 116973987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).