6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine

C9H12ClFN4 — CID 155284839

IUPAC6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine
SMILESF[C@@H]1CNC[C@@H](Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H12ClFN4/c10-8-1-2-9(15-14-8)13-7-3-6(11)4-12-5-7/h1-2,6-7,12H,3-5H2,(H,13,15)/t6-,7-/m0/s1
InChIKeyHXKMFEBAHDCZNK-BQBZGAKWSA-N
MW230.67 g/mol
LogP1.24
Rot. Bonds2

About 6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine

6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine (PubChem CID 155284839) has the molecular formula C9H12ClFN4 and a molecular weight of 230.67 g/mol. Its IUPAC name is 6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine
PubChem CID155284839
Molecular FormulaC9H12ClFN4
Molecular Weight230.67 g/mol
Exact Mass230.07
IUPAC Name6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine
SMILESF[C@@H]1CNC[C@@H](Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H12ClFN4/c10-8-1-2-9(15-14-8)13-7-3-6(11)4-12-5-7/h1-2,6-7,12H,3-5H2,(H,13,15)/t6-,7-/m0/s1
InChIKeyHXKMFEBAHDCZNK-BQBZGAKWSA-N
XLogP1.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(5-fluoropiperidin-3-yl)pyridazin-3-amine
CID 155284837
3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol
CID 155284780
6-chloro-N-(oxan-4-yl)pyridazin-3-amine
CID 43610418
N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidin-2-amine
CID 140912694
3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 155284735
3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid
CID 63042065
6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine
CID 60674953
6-chloro-N-(oxepan-4-yl)pyridazin-3-amine
CID 130698743
N-(azetidin-3-yl)-6-tert-butylpyridazin-3-amine
CID 116970920
6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine
CID 59805852
N-(azetidin-3-yl)-6-cyclopentylpyridazin-3-amine
CID 116970968
N-(azetidin-3-yl)-6-propylpyridazin-3-amine
CID 116970918

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine (CID 155284839) is 6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine is F[C@@H]1CNC[C@@H](Nc2ccc(Cl)nn2)C1.
What is the InChIKey of 6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine?
The InChIKey is HXKMFEBAHDCZNK-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H12ClFN4/c10-8-1-2-9(15-14-8)13-7-3-6(11)4-12-5-7/h1-2,6-7,12H,3-5H2,(H,13,15)/t6-,7-/m0/s1.
What are the key properties of 6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine?
6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine has a molecular weight of 230.67 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 155284839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).