6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine

C8H11FN4O — CID 163467291

IUPAC6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine
SMILESNc1ccc(O[C@H]2CNC[C@@H]2F)nn1
InChIInChI=1S/C8H11FN4O/c9-5-3-11-4-6(5)14-8-2-1-7(10)12-13-8/h1-2,5-6,11H,3-4H2,(H2,10,12)/t5-,6-/m0/s1
InChIKeyBTRDBTXGNAGZKQ-WDSKDSINSA-N
MW198.20 g/mol
LogP-0.25
Rot. Bonds2

About 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine

6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine (PubChem CID 163467291) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine.

Molecular Properties

Compound Name6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine
PubChem CID163467291
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC Name6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine
SMILESNc1ccc(O[C@H]2CNC[C@@H]2F)nn1
InChIInChI=1S/C8H11FN4O/c9-5-3-11-4-6(5)14-8-2-1-7(10)12-13-8/h1-2,5-6,11H,3-4H2,(H2,10,12)/t5-,6-/m0/s1
InChIKeyBTRDBTXGNAGZKQ-WDSKDSINSA-N
XLogP-0.25
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine?
The IUPAC name of 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine (CID 163467291) is 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine.
What is the SMILES notation for 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine?
The canonical SMILES for 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine is Nc1ccc(O[C@H]2CNC[C@@H]2F)nn1.
What is the InChIKey of 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine?
The InChIKey is BTRDBTXGNAGZKQ-WDSKDSINSA-N. The full InChI is InChI=1S/C8H11FN4O/c9-5-3-11-4-6(5)14-8-2-1-7(10)12-13-8/h1-2,5-6,11H,3-4H2,(H2,10,12)/t5-,6-/m0/s1.
What are the key properties of 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine?
6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine has a molecular weight of 198.20 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxypyridazin-3-amine is sourced from PubChem (CID 163467291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).