tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate

C13H19N3O2 — CID 168895574

IUPACtert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate
SMILESCc1ccc(C2CN(C(=O)OC(C)(C)C)C2)nn1
InChIInChI=1S/C13H19N3O2/c1-9-5-6-11(15-14-9)10-7-16(8-10)12(17)18-13(2,3)4/h5-6,10H,7-8H2,1-4H3
InChIKeyBGZXDPDQHIKOLD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.12
Rot. Bonds1

About tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate

tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate (PubChem CID 168895574) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate
PubChem CID168895574
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nametert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate
SMILESCc1ccc(C2CN(C(=O)OC(C)(C)C)C2)nn1
InChIInChI=1S/C13H19N3O2/c1-9-5-6-11(15-14-9)10-7-16(8-10)12(17)18-13(2,3)4/h5-6,10H,7-8H2,1-4H3
InChIKeyBGZXDPDQHIKOLD-UHFFFAOYSA-N
XLogP2.12
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(5-bromo-2-pyridinyl)azetidine-1-carboxylate
CID 140882194
lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate
CID 138689723
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
tert-butyl (3R)-3-(6-methylpyridazin-3-yl)sulfanylpiperidine-1-carboxylate
CID 97031863
tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate
CID 66641449
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
tert-butyl (3S)-3-(5-bromo-2-pyridinyl)pyrrolidine-1-carboxylate
CID 124704146
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-[2-(hydroxymethyl)-1,3-thiazol-4-yl]azetidine-1-carboxylate
CID 53493293
tert-butyl (1S,5R)-6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 86334179
tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate
CID 170182115

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate (CID 168895574) is tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate is Cc1ccc(C2CN(C(=O)OC(C)(C)C)C2)nn1.
What is the InChIKey of tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate?
The InChIKey is BGZXDPDQHIKOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-5-6-11(15-14-9)10-7-16(8-10)12(17)18-13(2,3)4/h5-6,10H,7-8H2,1-4H3.
What are the key properties of tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate?
tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate is sourced from PubChem (CID 168895574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).