6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine

C12H18FN3O — CID 126856317

IUPAC6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine
SMILESCC(C)(C)c1ccc(NC2COCC2F)nn1
InChIInChI=1S/C12H18FN3O/c1-12(2,3)10-4-5-11(16-15-10)14-9-7-17-6-8(9)13/h4-5,8-9H,6-7H2,1-3H3,(H,14,16)
InChIKeyFXTCAYOALYJFQB-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.92
Rot. Bonds2

About 6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine

6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine (PubChem CID 126856317) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine
PubChem CID126856317
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine
SMILESCC(C)(C)c1ccc(NC2COCC2F)nn1
InChIInChI=1S/C12H18FN3O/c1-12(2,3)10-4-5-11(16-15-10)14-9-7-17-6-8(9)13/h4-5,8-9H,6-7H2,1-3H3,(H,14,16)
InChIKeyFXTCAYOALYJFQB-UHFFFAOYSA-N
XLogP1.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-6-tert-butylpyridazin-3-amine
CID 116970920
N-(4-fluorooxolan-3-yl)pyrazin-2-amine
CID 126856303
(6-tert-butylpyridazin-3-yl)hydrazine
CID 13499980
(3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol
CID 130729685
N'-(6-tert-butylpyridazin-3-yl)ethane-1,2-diamine
CID 84665671
N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 133433180
2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide
CID 140679701
N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103880351
6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 118546945
2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide
CID 133419370
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 154794373
2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid
CID 116971445

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine?
The IUPAC name of 6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine (CID 126856317) is 6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine.
What is the SMILES notation for 6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine?
The canonical SMILES for 6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine is CC(C)(C)c1ccc(NC2COCC2F)nn1.
What is the InChIKey of 6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine?
The InChIKey is FXTCAYOALYJFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-12(2,3)10-4-5-11(16-15-10)14-9-7-17-6-8(9)13/h4-5,8-9H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine?
6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine has a molecular weight of 239.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(4-fluorooxolan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 126856317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).