6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine

C10H14ClFN4 — CID 155284792

IUPAC6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine
SMILESCN1C[C@H](F)C[C@H](Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C10H14ClFN4/c1-16-5-7(12)4-8(6-16)13-10-3-2-9(11)14-15-10/h2-3,7-8H,4-6H2,1H3,(H,13,15)/t7-,8+/m1/s1
InChIKeyRVGVAHYEULBFGU-SFYZADRCSA-N
MW244.70 g/mol
LogP1.58
Rot. Bonds2

About 6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine

6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine (PubChem CID 155284792) has the molecular formula C10H14ClFN4 and a molecular weight of 244.70 g/mol. Its IUPAC name is 6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine
PubChem CID155284792
Molecular FormulaC10H14ClFN4
Molecular Weight244.70 g/mol
Exact Mass244.09
IUPAC Name6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine
SMILESCN1C[C@H](F)C[C@H](Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C10H14ClFN4/c1-16-5-7(12)4-8(6-16)13-10-3-2-9(11)14-15-10/h2-3,7-8H,4-6H2,1H3,(H,13,15)/t7-,8+/m1/s1
InChIKeyRVGVAHYEULBFGU-SFYZADRCSA-N
XLogP1.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine (CID 155284792) is 6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine is CN1C[C@H](F)C[C@H](Nc2ccc(Cl)nn2)C1.
What is the InChIKey of 6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine?
The InChIKey is RVGVAHYEULBFGU-SFYZADRCSA-N. The full InChI is InChI=1S/C10H14ClFN4/c1-16-5-7(12)4-8(6-16)13-10-3-2-9(11)14-15-10/h2-3,7-8H,4-6H2,1H3,(H,13,15)/t7-,8+/m1/s1.
What are the key properties of 6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine?
6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine has a molecular weight of 244.70 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 155284792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).