methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate

C12H15N3O2 — CID 133269783

IUPACmethyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CC3CCC2C3)nn1
InChIInChI=1S/C12H15N3O2/c1-17-12(16)10-4-5-11(14-13-10)15-7-8-2-3-9(15)6-8/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyBVBNIBIOGLTXBE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.25
Rot. Bonds2

About methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate

methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate (PubChem CID 133269783) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate
PubChem CID133269783
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CC3CCC2C3)nn1
InChIInChI=1S/C12H15N3O2/c1-17-12(16)10-4-5-11(14-13-10)15-7-8-2-3-9(15)6-8/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyBVBNIBIOGLTXBE-UHFFFAOYSA-N
XLogP1.25
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]pyridazine-3-carboxylate
CID 100899631
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
methyl 6-[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazine-3-carboxylate
CID 129497824
2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid
CID 61371685
methyl 6-(2,5-diethylpiperazin-1-yl)pyridazine-3-carboxylate
CID 64979051
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxypyridazin-3-yl)methanone
CID 98355940
methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 62063099
N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62294841
methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 60979698
methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 133281007
methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 133397967
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate (CID 133269783) is methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate is COC(=O)c1ccc(N2CC3CCC2C3)nn1.
What is the InChIKey of methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate?
The InChIKey is BVBNIBIOGLTXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-17-12(16)10-4-5-11(14-13-10)15-7-8-2-3-9(15)6-8/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate?
methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate is sourced from PubChem (CID 133269783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).