6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-N-methylpyridazin-3-amine

C9H13FN4O — CID 134405972

IUPAC6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-N-methylpyridazin-3-amine
SMILESCNc1ccc(O[C@H]2CNC[C@@H]2F)nn1
InChIInChI=1S/C9H13FN4O/c1-11-8-2-3-9(14-13-8)15-7-5-12-4-6(7)10/h2-3,6-7,12H,4-5H2,1H3,(H,11,13)/t6-,7-/m0/s1
InChIKeyGAPSOJOOFNWRJG-BQBZGAKWSA-N
MW212.23 g/mol
LogP0.21
Rot. Bonds3

About 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-N-methylpyridazin-3-amine

6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-N-methylpyridazin-3-amine (PubChem CID 134405972) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-N-methylpyridazin-3-amine
PubChem CID134405972
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-N-methylpyridazin-3-amine
SMILESCNc1ccc(O[C@H]2CNC[C@@H]2F)nn1
InChIInChI=1S/C9H13FN4O/c1-11-8-2-3-9(14-13-8)15-7-5-12-4-6(7)10/h2-3,6-7,12H,4-5H2,1H3,(H,11,13)/t6-,7-/m0/s1
InChIKeyGAPSOJOOFNWRJG-BQBZGAKWSA-N
XLogP0.21
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.21
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]oxy-N-methylpyridazin-3-amine?
The IUPAC name of 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-N-methylpyridazin-3-amine (CID 134405972) is 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-N-methylpyridazin-3-amine.
What is the SMILES notation for 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-N-methylpyridazin-3-amine?
The canonical SMILES for 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-N-methylpyridazin-3-amine is CNc1ccc(O[C@H]2CNC[C@@H]2F)nn1.
What is the InChIKey of 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-N-methylpyridazin-3-amine?
The InChIKey is GAPSOJOOFNWRJG-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H13FN4O/c1-11-8-2-3-9(14-13-8)15-7-5-12-4-6(7)10/h2-3,6-7,12H,4-5H2,1H3,(H,11,13)/t6-,7-/m0/s1.
What are the key properties of 6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-N-methylpyridazin-3-amine?
6-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-N-methylpyridazin-3-amine has a molecular weight of 212.23 g/mol, XLogP of 0.21, 3 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]oxy-N-methylpyridazin-3-amine is sourced from PubChem (CID 134405972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).