[(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine

C9H13FN4 — CID 91662768

IUPAC[(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@@H](F)CN1c1cccnn1
InChIInChI=1S/C9H13FN4/c10-7-4-8(5-11)14(6-7)9-2-1-3-12-13-9/h1-3,7-8H,4-6,11H2/t7-,8+/m1/s1
InChIKeyNEBCRHQTLSEAPG-SFYZADRCSA-N
MW196.23 g/mol
LogP0.35
Rot. Bonds2

About [(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine

[(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine (PubChem CID 91662768) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
PubChem CID91662768
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name[(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@@H](F)CN1c1cccnn1
InChIInChI=1S/C9H13FN4/c10-7-4-8(5-11)14(6-7)9-2-1-3-12-13-9/h1-3,7-8H,4-6,11H2/t7-,8+/m1/s1
InChIKeyNEBCRHQTLSEAPG-SFYZADRCSA-N
XLogP0.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine (CID 91662768) is [(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine is NC[C@@H]1C[C@@H](F)CN1c1cccnn1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The InChIKey is NEBCRHQTLSEAPG-SFYZADRCSA-N. The full InChI is InChI=1S/C9H13FN4/c10-7-4-8(5-11)14(6-7)9-2-1-3-12-13-9/h1-3,7-8H,4-6,11H2/t7-,8+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
[(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine has a molecular weight of 196.23 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 91662768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).