3-tert-butyl-6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine

C12H18FN3O — CID 134595577

IUPAC3-tert-butyl-6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine
SMILESCC(C)(C)c1ccc(O[C@H]2CNC[C@@H]2F)nn1
InChIInChI=1S/C12H18FN3O/c1-12(2,3)10-4-5-11(16-15-10)17-9-7-14-6-8(9)13/h4-5,8-9,14H,6-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyYGCOWQKOJBBCMG-IUCAKERBSA-N
MW239.29 g/mol
LogP1.46
Rot. Bonds2

About 3-tert-butyl-6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine

3-tert-butyl-6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine (PubChem CID 134595577) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-tert-butyl-6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine
PubChem CID134595577
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name3-tert-butyl-6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine
SMILESCC(C)(C)c1ccc(O[C@H]2CNC[C@@H]2F)nn1
InChIInChI=1S/C12H18FN3O/c1-12(2,3)10-4-5-11(16-15-10)17-9-7-14-6-8(9)13/h4-5,8-9,14H,6-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyYGCOWQKOJBBCMG-IUCAKERBSA-N
XLogP1.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.46
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-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine?
The IUPAC name of 3-tert-butyl-6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine (CID 134595577) is 3-tert-butyl-6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-tert-butyl-6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine?
The canonical SMILES for 3-tert-butyl-6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine is CC(C)(C)c1ccc(O[C@H]2CNC[C@@H]2F)nn1.
What is the InChIKey of 3-tert-butyl-6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine?
The InChIKey is YGCOWQKOJBBCMG-IUCAKERBSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-12(2,3)10-4-5-11(16-15-10)17-9-7-14-6-8(9)13/h4-5,8-9,14H,6-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of 3-tert-butyl-6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine?
3-tert-butyl-6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine has a molecular weight of 239.29 g/mol, XLogP of 1.46, 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-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazine is sourced from PubChem (CID 134595577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).