3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol

C8H9ClF3N3O — CID 155284619

IUPAC3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(O)(CNc1ccc(Cl)nn1)C(F)(F)F
InChIInChI=1S/C8H9ClF3N3O/c1-7(16,8(10,11)12)4-13-6-3-2-5(9)14-15-6/h2-3,16H,4H2,1H3,(H,13,15)
InChIKeyZZEBJIBTAMFUOC-UHFFFAOYSA-N
MW255.63 g/mol
LogP1.86
Rot. Bonds3

About 3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol

3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 155284619) has the molecular formula C8H9ClF3N3O and a molecular weight of 255.63 g/mol. Its IUPAC name is 3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID155284619
Molecular FormulaC8H9ClF3N3O
Molecular Weight255.63 g/mol
Exact Mass255.04
IUPAC Name3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(O)(CNc1ccc(Cl)nn1)C(F)(F)F
InChIInChI=1S/C8H9ClF3N3O/c1-7(16,8(10,11)12)4-13-6-3-2-5(9)14-15-6/h2-3,16H,4H2,1H3,(H,13,15)
InChIKeyZZEBJIBTAMFUOC-UHFFFAOYSA-N
XLogP1.86
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol (CID 155284619) is 3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol is CC(O)(CNc1ccc(Cl)nn1)C(F)(F)F.
What is the InChIKey of 3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is ZZEBJIBTAMFUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O/c1-7(16,8(10,11)12)4-13-6-3-2-5(9)14-15-6/h2-3,16H,4H2,1H3,(H,13,15).
What are the key properties of 3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol?
3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 255.63 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyridazin-3-yl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 155284619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).