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

C11H18N4O2 — CID 60792902

IUPACmethyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCCN(C)C)nn1
InChIInChI=1S/C11H18N4O2/c1-15(2)8-4-7-12-10-6-5-9(13-14-10)11(16)17-3/h5-6H,4,7-8H2,1-3H3,(H,12,14)
InChIKeyDPNFDNBWMWRKDM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.63
Rot. Bonds6

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

methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate (PubChem CID 60792902) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
PubChem CID60792902
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCCN(C)C)nn1
InChIInChI=1S/C11H18N4O2/c1-15(2)8-4-7-12-10-6-5-9(13-14-10)11(16)17-3/h5-6H,4,7-8H2,1-3H3,(H,12,14)
InChIKeyDPNFDNBWMWRKDM-UHFFFAOYSA-N
XLogP0.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.63
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-(diethylamino)propylamino]pyridazine-3-carboxylate
CID 60792604
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate
CID 55142196
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
methyl 6-(3-methylsulfinylpropylamino)pyridazine-3-carboxylate
CID 115631415
6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111167
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294
N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109116007

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate (CID 60792902) is methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCCCN(C)C)nn1.
What is the InChIKey of methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate?
The InChIKey is DPNFDNBWMWRKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15(2)8-4-7-12-10-6-5-9(13-14-10)11(16)17-3/h5-6H,4,7-8H2,1-3H3,(H,12,14).
What are the key properties of methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate?
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 60792902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).