tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate

C13H19N3O3 — CID 129411647

IUPACtert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-8-6-10(9-16)18-11-5-4-7-14-15-11/h4-5,7,10H,6,8-9H2,1-3H3/t10-/m1/s1
InChIKeyBKOJBAVMNQRXAB-SNVBAGLBSA-N
MW265.31 g/mol
LogP1.86
Rot. Bonds2

About tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate

tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate (PubChem CID 129411647) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
PubChem CID129411647
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nametert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-8-6-10(9-16)18-11-5-4-7-14-15-11/h4-5,7,10H,6,8-9H2,1-3H3/t10-/m1/s1
InChIKeyBKOJBAVMNQRXAB-SNVBAGLBSA-N
XLogP1.86
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate
CID 71629716
2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
(4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100624368
N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638477
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100623677
(5-methylpyrazin-2-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 91627264
tert-butyl (3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 97102850
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
(E)-3-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one
CID 100621078
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate (CID 129411647) is tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccnn2)C1.
What is the InChIKey of tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate?
The InChIKey is BKOJBAVMNQRXAB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-8-6-10(9-16)18-11-5-4-7-14-15-11/h4-5,7,10H,6,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate?
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 129411647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).