3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol

C9H9ClF3N3O — CID 155284780

IUPAC3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol
SMILESOC1(C(F)(F)F)CC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H9ClF3N3O/c10-6-1-2-7(16-15-6)14-5-3-8(17,4-5)9(11,12)13/h1-2,5,17H,3-4H2,(H,14,16)
InChIKeyZZIWDJCCLMEQFZ-UHFFFAOYSA-N
MW267.64 g/mol
LogP2.00
Rot. Bonds2

About 3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol

3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 155284780) has the molecular formula C9H9ClF3N3O and a molecular weight of 267.64 g/mol. Its IUPAC name is 3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol
PubChem CID155284780
Molecular FormulaC9H9ClF3N3O
Molecular Weight267.64 g/mol
Exact Mass267.04
IUPAC Name3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol
SMILESOC1(C(F)(F)F)CC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H9ClF3N3O/c10-6-1-2-7(16-15-6)14-5-3-8(17,4-5)9(11,12)13/h1-2,5,17H,3-4H2,(H,14,16)
InChIKeyZZIWDJCCLMEQFZ-UHFFFAOYSA-N
XLogP2.00
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 155284735
6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine
CID 155284839
6-chloro-N-(5-fluoropiperidin-3-yl)pyridazin-3-amine
CID 155284837
6-chloro-N-(oxan-4-yl)pyridazin-3-amine
CID 43610418
(3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol
CID 130729685
N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 133433180
3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid
CID 63042065
6-chloro-N-(oxepan-4-yl)pyridazin-3-amine
CID 130698743
tert-butyl 3-[(6-chloropyridazin-3-yl)amino]azetidine-1-carboxylate
CID 146078205
1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118460
(1S,5R)-N-(6-chloropyridazin-3-yl)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 154983376
6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine
CID 59805852

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol (CID 155284780) is 3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol is OC1(C(F)(F)F)CC(Nc2ccc(Cl)nn2)C1.
What is the InChIKey of 3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is ZZIWDJCCLMEQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O/c10-6-1-2-7(16-15-6)14-5-3-8(17,4-5)9(11,12)13/h1-2,5,17H,3-4H2,(H,14,16).
What are the key properties of 3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol?
3-[(6-chloropyridazin-3-yl)amino]-1-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 267.64 g/mol, XLogP of 2.00, 2 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-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 155284780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).