6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine

C11H13F3N4 — CID 178030085

IUPAC6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine
SMILESNc1ccc(C2=CCN(CC(F)(F)F)CC2)nn1
InChIInChI=1S/C11H13F3N4/c12-11(13,14)7-18-5-3-8(4-6-18)9-1-2-10(15)17-16-9/h1-3H,4-7H2,(H2,15,17)
InChIKeyPKNHUJFNDVMJGI-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.71
Rot. Bonds2

About 6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine

6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine (PubChem CID 178030085) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine
PubChem CID178030085
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine
SMILESNc1ccc(C2=CCN(CC(F)(F)F)CC2)nn1
InChIInChI=1S/C11H13F3N4/c12-11(13,14)7-18-5-3-8(4-6-18)9-1-2-10(15)17-16-9/h1-3H,4-7H2,(H2,15,17)
InChIKeyPKNHUJFNDVMJGI-UHFFFAOYSA-N
XLogP1.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Trifluoromethyl)pyridazin-3-amine
CID 59805859
6-(Pyrrolidin-2-yl)pyridazin-3-amine
CID 117105722
6-Phenyl-4-trifluoromethyl-pyridazin-3-ylamine
CID 68727202
4-Piperidin-4-yl-6-(trifluoromethyl)pyridazin-3-amine
CID 69283231
6-(Difluoromethyl)pyridazin-3-amine
CID 84649006
4-[1-[(3,4-Difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 90882761
4-[1-[(3,5-Difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 91410212
4-[1-[(4-Fluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 91433277
[6-(4,4,4-Trifluoro-3-methylbut-2-en-2-yl)pyridazin-3-yl]hydrazine
CID 123667204
6-(6-Fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine
CID 123834334
6-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]pyridazin-3-amine
CID 146550573
Ethane;5-methyl-6-(trifluoromethyl)pyridazin-3-amine
CID 165132602

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine?
The IUPAC name of 6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine (CID 178030085) is 6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine?
The canonical SMILES for 6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine is Nc1ccc(C2=CCN(CC(F)(F)F)CC2)nn1.
What is the InChIKey of 6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine?
The InChIKey is PKNHUJFNDVMJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c12-11(13,14)7-18-5-3-8(4-6-18)9-1-2-10(15)17-16-9/h1-3H,4-7H2,(H2,15,17).
What are the key properties of 6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine?
6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine has a molecular weight of 258.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]pyridazin-3-amine is sourced from PubChem (CID 178030085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).