[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine

C11H16F3N5 — CID 62968966

IUPAC[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine
SMILESNCc1ccc(N2CCN(CC(F)(F)F)CC2)nn1
InChIInChI=1S/C11H16F3N5/c12-11(13,14)8-18-3-5-19(6-4-18)10-2-1-9(7-15)16-17-10/h1-2H,3-8,15H2
InChIKeyNMSYSKNNROBYCY-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.62
Rot. Bonds3

About [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine

[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine (PubChem CID 62968966) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine
PubChem CID62968966
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC Name[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine
SMILESNCc1ccc(N2CCN(CC(F)(F)F)CC2)nn1
InChIInChI=1S/C11H16F3N5/c12-11(13,14)8-18-3-5-19(6-4-18)10-2-1-9(7-15)16-17-10/h1-2H,3-8,15H2
InChIKeyNMSYSKNNROBYCY-UHFFFAOYSA-N
XLogP0.62
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine?
The IUPAC name of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine (CID 62968966) is [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine?
The canonical SMILES for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine is NCc1ccc(N2CCN(CC(F)(F)F)CC2)nn1.
What is the InChIKey of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine?
The InChIKey is NMSYSKNNROBYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5/c12-11(13,14)8-18-3-5-19(6-4-18)10-2-1-9(7-15)16-17-10/h1-2H,3-8,15H2.
What are the key properties of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine?
[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine has a molecular weight of 275.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanamine is sourced from PubChem (CID 62968966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).