methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate

C10H14N4O3 — CID 60968294

IUPACmethyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
SMILESCNC(=O)CCNc1ccc(C(=O)OC)nn1
InChIInChI=1S/C10H14N4O3/c1-11-9(15)5-6-12-8-4-3-7(13-14-8)10(16)17-2/h3-4H,5-6H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyRNMFSVDKPHJMFH-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.19
Rot. Bonds5

About methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate

methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate (PubChem CID 60968294) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
PubChem CID60968294
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Namemethyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
SMILESCNC(=O)CCNc1ccc(C(=O)OC)nn1
InChIInChI=1S/C10H14N4O3/c1-11-9(15)5-6-12-8-4-3-7(13-14-8)10(16)17-2/h3-4H,5-6H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyRNMFSVDKPHJMFH-UHFFFAOYSA-N
XLogP-0.19
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 115609127
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62175032
6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 115669069
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
methyl 6-(3-methylsulfinylpropylamino)pyridazine-3-carboxylate
CID 115631415
methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate
CID 115586284
methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate
CID 60792604
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581
methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113
methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate
CID 107390127

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate (CID 60968294) is methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate is CNC(=O)CCNc1ccc(C(=O)OC)nn1.
What is the InChIKey of methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate?
The InChIKey is RNMFSVDKPHJMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-11-9(15)5-6-12-8-4-3-7(13-14-8)10(16)17-2/h3-4H,5-6H2,1-2H3,(H,11,15)(H,12,14).
What are the key properties of methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate?
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate has a molecular weight of 238.25 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 60968294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).