6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine

C10H16FN5 — CID 134601121

IUPAC6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine
SMILESCN[C@@H]1CCN(c2ccc(N)nn2)C[C@@H]1F
InChIInChI=1S/C10H16FN5/c1-13-8-4-5-16(6-7(8)11)10-3-2-9(12)14-15-10/h2-3,7-8,13H,4-6H2,1H3,(H2,12,14)/t7-,8+/m0/s1
InChIKeyVQBJJKZPZDCKPI-JGVFFNPUSA-N
MW225.27 g/mol
LogP0.19
Rot. Bonds2

About 6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine

6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine (PubChem CID 134601121) has the molecular formula C10H16FN5 and a molecular weight of 225.27 g/mol. Its IUPAC name is 6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine
PubChem CID134601121
Molecular FormulaC10H16FN5
Molecular Weight225.27 g/mol
Exact Mass225.14
IUPAC Name6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine
SMILESCN[C@@H]1CCN(c2ccc(N)nn2)C[C@@H]1F
InChIInChI=1S/C10H16FN5/c1-13-8-4-5-16(6-7(8)11)10-3-2-9(12)14-15-10/h2-3,7-8,13H,4-6H2,1H3,(H2,12,14)/t7-,8+/m0/s1
InChIKeyVQBJJKZPZDCKPI-JGVFFNPUSA-N
XLogP0.19
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine?
The IUPAC name of 6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine (CID 134601121) is 6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine?
The canonical SMILES for 6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine is CN[C@@H]1CCN(c2ccc(N)nn2)C[C@@H]1F.
What is the InChIKey of 6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine?
The InChIKey is VQBJJKZPZDCKPI-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H16FN5/c1-13-8-4-5-16(6-7(8)11)10-3-2-9(12)14-15-10/h2-3,7-8,13H,4-6H2,1H3,(H2,12,14)/t7-,8+/m0/s1.
What are the key properties of 6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine?
6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine has a molecular weight of 225.27 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4R)-3-fluoro-4-(methylamino)piperidin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 134601121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).