methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate

C13H22N4O2 — CID 60792604

IUPACmethyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate
SMILESCCN(CC)CCCNc1ccc(C(=O)OC)nn1
InChIInChI=1S/C13H22N4O2/c1-4-17(5-2)10-6-9-14-12-8-7-11(15-16-12)13(18)19-3/h7-8H,4-6,9-10H2,1-3H3,(H,14,16)
InChIKeySZLMPIHORHUMIS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.41
Rot. Bonds8

About methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate

methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate (PubChem CID 60792604) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate
PubChem CID60792604
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Namemethyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate
SMILESCCN(CC)CCCNc1ccc(C(=O)OC)nn1
InChIInChI=1S/C13H22N4O2/c1-4-17(5-2)10-6-9-14-12-8-7-11(15-16-12)13(18)19-3/h7-8H,4-6,9-10H2,1-3H3,(H,14,16)
InChIKeySZLMPIHORHUMIS-UHFFFAOYSA-N
XLogP1.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 62166382
methyl 6-(3-methylsulfinylpropylamino)pyridazine-3-carboxylate
CID 115631415
methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate
CID 55142196
methyl 6-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pyridazine-3-carboxylate
CID 104925835
N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 559472
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581
methyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 115609127
methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate
CID 106097307

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate (CID 60792604) is methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate is CCN(CC)CCCNc1ccc(C(=O)OC)nn1.
What is the InChIKey of methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate?
The InChIKey is SZLMPIHORHUMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-17(5-2)10-6-9-14-12-8-7-11(15-16-12)13(18)19-3/h7-8H,4-6,9-10H2,1-3H3,(H,14,16).
What are the key properties of methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate?
methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 60792604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).