methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate

C11H16N4O2 — CID 62063099

IUPACmethyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(CN)C2)nn1
InChIInChI=1S/C11H16N4O2/c1-17-11(16)9-2-3-10(14-13-9)15-5-4-8(6-12)7-15/h2-3,8H,4-7,12H2,1H3
InChIKeyNKZSBTGXJIWPHW-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.05
Rot. Bonds3

About methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate

methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate (PubChem CID 62063099) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
PubChem CID62063099
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Namemethyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(CN)C2)nn1
InChIInChI=1S/C11H16N4O2/c1-17-11(16)9-2-3-10(14-13-9)15-5-4-8(6-12)7-15/h2-3,8H,4-7,12H2,1H3
InChIKeyNKZSBTGXJIWPHW-UHFFFAOYSA-N
XLogP0.05
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 60979698
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238
methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 133322299
methyl 6-[(3S)-3-anilinopyrrolidin-1-yl]pyridazine-3-carboxylate
CID 96524339
methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate
CID 133278361
methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 133397967
[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342103
methyl 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxylate
CID 133279613
methyl 6-[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazine-3-carboxylate
CID 129497824
methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate
CID 75415769
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate (CID 62063099) is methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate is COC(=O)c1ccc(N2CCC(CN)C2)nn1.
What is the InChIKey of methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate?
The InChIKey is NKZSBTGXJIWPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-11(16)9-2-3-10(14-13-9)15-5-4-8(6-12)7-15/h2-3,8H,4-7,12H2,1H3.
What are the key properties of methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate?
methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate is sourced from PubChem (CID 62063099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).