3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine

C16H27N3 — CID 176746774

IUPAC3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine
SMILESCc1c(C2CNC2)nnc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C16H27N3/c1-10-12(15(2,3)4)14(16(5,6)7)19-18-13(10)11-8-17-9-11/h11,17H,8-9H2,1-7H3
InChIKeySIXCZVFDAHHECD-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.07
Rot. Bonds1

About 3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine

3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine (PubChem CID 176746774) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine.

Molecular Properties

Compound Name3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine
PubChem CID176746774
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine
SMILESCc1c(C2CNC2)nnc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C16H27N3/c1-10-12(15(2,3)4)14(16(5,6)7)19-18-13(10)11-8-17-9-11/h11,17H,8-9H2,1-7H3
InChIKeySIXCZVFDAHHECD-UHFFFAOYSA-N
XLogP3.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine?
The IUPAC name of 3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine (CID 176746774) is 3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine.
What is the SMILES notation for 3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine?
The canonical SMILES for 3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine is Cc1c(C2CNC2)nnc(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine?
The InChIKey is SIXCZVFDAHHECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-10-12(15(2,3)4)14(16(5,6)7)19-18-13(10)11-8-17-9-11/h11,17H,8-9H2,1-7H3.
What are the key properties of 3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine?
3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine has a molecular weight of 261.41 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-5,6-ditert-butyl-4-methylpyridazine is sourced from PubChem (CID 176746774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).