N-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine

C13H20F3N5O2S — CID 122350942

IUPACN-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine
SMILESCCNc1ccc(N2CCN(S(=O)(=O)CCC(F)(F)F)CC2)nn1
InChIInChI=1S/C13H20F3N5O2S/c1-2-17-11-3-4-12(19-18-11)20-6-8-21(9-7-20)24(22,23)10-5-13(14,15)16/h3-4H,2,5-10H2,1H3,(H,17,18)
InChIKeyPTPYMXGGSAPEIX-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.31
Rot. Bonds6

About N-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine

N-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine (PubChem CID 122350942) has the molecular formula C13H20F3N5O2S and a molecular weight of 367.40 g/mol. Its IUPAC name is N-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine
PubChem CID122350942
Molecular FormulaC13H20F3N5O2S
Molecular Weight367.40 g/mol
Exact Mass367.13
IUPAC NameN-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine
SMILESCCNc1ccc(N2CCN(S(=O)(=O)CCC(F)(F)F)CC2)nn1
InChIInChI=1S/C13H20F3N5O2S/c1-2-17-11-3-4-12(19-18-11)20-6-8-21(9-7-20)24(22,23)10-5-13(14,15)16/h3-4H,2,5-10H2,1H3,(H,17,18)
InChIKeyPTPYMXGGSAPEIX-UHFFFAOYSA-N
XLogP1.31
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine?
The IUPAC name of N-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine (CID 122350942) is N-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine?
The canonical SMILES for N-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine is CCNc1ccc(N2CCN(S(=O)(=O)CCC(F)(F)F)CC2)nn1.
What is the InChIKey of N-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine?
The InChIKey is PTPYMXGGSAPEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5O2S/c1-2-17-11-3-4-12(19-18-11)20-6-8-21(9-7-20)24(22,23)10-5-13(14,15)16/h3-4H,2,5-10H2,1H3,(H,17,18).
What are the key properties of N-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine?
N-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine has a molecular weight of 367.40 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 122350942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).