1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one

C13H18F3N5O — CID 122342766

IUPAC1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESCN(C)c1cnnc(N2CCN(C(=O)CC(F)(F)F)CC2)c1
InChIInChI=1S/C13H18F3N5O/c1-19(2)10-7-11(18-17-9-10)20-3-5-21(6-4-20)12(22)8-13(14,15)16/h7,9H,3-6,8H2,1-2H3
InChIKeyHSJNDUBWNGSUAB-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.14
Rot. Bonds3

About 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one

1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one (PubChem CID 122342766) has the molecular formula C13H18F3N5O and a molecular weight of 317.32 g/mol. Its IUPAC name is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
PubChem CID122342766
Molecular FormulaC13H18F3N5O
Molecular Weight317.32 g/mol
Exact Mass317.15
IUPAC Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESCN(C)c1cnnc(N2CCN(C(=O)CC(F)(F)F)CC2)c1
InChIInChI=1S/C13H18F3N5O/c1-19(2)10-7-11(18-17-9-10)20-3-5-21(6-4-20)12(22)8-13(14,15)16/h7,9H,3-6,8H2,1-2H3
InChIKeyHSJNDUBWNGSUAB-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one (CID 122342766) is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one is CN(C)c1cnnc(N2CCN(C(=O)CC(F)(F)F)CC2)c1.
What is the InChIKey of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
The InChIKey is HSJNDUBWNGSUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O/c1-19(2)10-7-11(18-17-9-10)20-3-5-21(6-4-20)12(22)8-13(14,15)16/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one?
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one has a molecular weight of 317.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 122342766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).