3-tert-butyl-6-pyrrolidin-3-yloxypyridazine

C12H19N3O — CID 134595575

IUPAC3-tert-butyl-6-pyrrolidin-3-yloxypyridazine
SMILESCC(C)(C)c1ccc(OC2CCNC2)nn1
InChIInChI=1S/C12H19N3O/c1-12(2,3)10-4-5-11(15-14-10)16-9-6-7-13-8-9/h4-5,9,13H,6-8H2,1-3H3
InChIKeyJAQAKXDGXPLSHZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.51
Rot. Bonds2

About 3-tert-butyl-6-pyrrolidin-3-yloxypyridazine

3-tert-butyl-6-pyrrolidin-3-yloxypyridazine (PubChem CID 134595575) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-tert-butyl-6-pyrrolidin-3-yloxypyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-pyrrolidin-3-yloxypyridazine
PubChem CID134595575
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-tert-butyl-6-pyrrolidin-3-yloxypyridazine
SMILESCC(C)(C)c1ccc(OC2CCNC2)nn1
InChIInChI=1S/C12H19N3O/c1-12(2,3)10-4-5-11(15-14-10)16-9-6-7-13-8-9/h4-5,9,13H,6-8H2,1-3H3
InChIKeyJAQAKXDGXPLSHZ-UHFFFAOYSA-N
XLogP1.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-pyrrolidin-3-yloxypyridazine?
The IUPAC name of 3-tert-butyl-6-pyrrolidin-3-yloxypyridazine (CID 134595575) is 3-tert-butyl-6-pyrrolidin-3-yloxypyridazine.
What is the SMILES notation for 3-tert-butyl-6-pyrrolidin-3-yloxypyridazine?
The canonical SMILES for 3-tert-butyl-6-pyrrolidin-3-yloxypyridazine is CC(C)(C)c1ccc(OC2CCNC2)nn1.
What is the InChIKey of 3-tert-butyl-6-pyrrolidin-3-yloxypyridazine?
The InChIKey is JAQAKXDGXPLSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)10-4-5-11(15-14-10)16-9-6-7-13-8-9/h4-5,9,13H,6-8H2,1-3H3.
What are the key properties of 3-tert-butyl-6-pyrrolidin-3-yloxypyridazine?
3-tert-butyl-6-pyrrolidin-3-yloxypyridazine has a molecular weight of 221.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-pyrrolidin-3-yloxypyridazine is sourced from PubChem (CID 134595575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).