4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine

C13H19ClFN7 — CID 156699264

IUPAC4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine
SMILESCC1(C)C[C@H](Nc2nnc(Cl)cc2N=[N+]=[N-])[C@H](F)C(C)(C)N1
InChIInChI=1S/C13H19ClFN7/c1-12(2)6-8(10(15)13(3,4)21-12)17-11-7(18-22-16)5-9(14)19-20-11/h5,8,10,21H,6H2,1-4H3,(H,17,20)/t8-,10-/m0/s1
InChIKeyHAMLDKCZLXSXGF-WPRPVWTQSA-N
MW327.80 g/mol
LogP3.74
Rot. Bonds3

About 4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine

4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine (PubChem CID 156699264) has the molecular formula C13H19ClFN7 and a molecular weight of 327.80 g/mol. Its IUPAC name is 4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine.

Molecular Properties

Compound Name4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine
PubChem CID156699264
Molecular FormulaC13H19ClFN7
Molecular Weight327.80 g/mol
Exact Mass327.14
IUPAC Name4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine
SMILESCC1(C)C[C@H](Nc2nnc(Cl)cc2N=[N+]=[N-])[C@H](F)C(C)(C)N1
InChIInChI=1S/C13H19ClFN7/c1-12(2)6-8(10(15)13(3,4)21-12)17-11-7(18-22-16)5-9(14)19-20-11/h5,8,10,21H,6H2,1-4H3,(H,17,20)/t8-,10-/m0/s1
InChIKeyHAMLDKCZLXSXGF-WPRPVWTQSA-N
XLogP3.74
TPSA98.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazine-3,4-diamine
CID 153382829
6-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine
CID 155284590
6-chloro-N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine
CID 155284592
6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)pyridazin-3-amine
CID 155284791
6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 155284792
6-chloro-N-[(3R)-1-methylpiperidin-3-yl]-4-(trifluoromethyl)pyridazin-3-amine
CID 155284793
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine
CID 155284794
6-chloro-N-(5-fluoropiperidin-3-yl)pyridazin-3-amine
CID 155284837
6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine
CID 155284839
6-chloro-N-[(3S,5R)-5-fluoropiperidin-3-yl]pyridazin-3-amine
CID 155285287
12-Chloro-6-(fluoromethyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 171098371
6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine
CID 171545251

Frequently Asked Questions

What is the IUPAC name of 4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine?
The IUPAC name of 4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine (CID 156699264) is 4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine.
What is the SMILES notation for 4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine?
The canonical SMILES for 4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine is CC1(C)C[C@H](Nc2nnc(Cl)cc2N=[N+]=[N-])[C@H](F)C(C)(C)N1.
What is the InChIKey of 4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine?
The InChIKey is HAMLDKCZLXSXGF-WPRPVWTQSA-N. The full InChI is InChI=1S/C13H19ClFN7/c1-12(2)6-8(10(15)13(3,4)21-12)17-11-7(18-22-16)5-9(14)19-20-11/h5,8,10,21H,6H2,1-4H3,(H,17,20)/t8-,10-/m0/s1.
What are the key properties of 4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine?
4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine has a molecular weight of 327.80 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-6-chloro-N-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyridazin-3-amine is sourced from PubChem (CID 156699264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).