2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one

C15H17F3N6O — CID 126913420

IUPAC2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C15H17F3N6O/c16-15(17,18)12-3-4-13(21-20-12)23-9-6-22(7-10-23)8-11-24-14(25)2-1-5-19-24/h1-5H,6-11H2
InChIKeyWRXOFIKYJXOABE-UHFFFAOYSA-N
MW354.34 g/mol
LogP0.87
Rot. Bonds4

About 2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one

2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913420) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913420
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC Name2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C15H17F3N6O/c16-15(17,18)12-3-4-13(21-20-12)23-9-6-22(7-10-23)8-11-24-14(25)2-1-5-19-24/h1-5H,6-11H2
InChIKeyWRXOFIKYJXOABE-UHFFFAOYSA-N
XLogP0.87
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913367
6-pyridin-3-yl-2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915633
2-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913484
2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913536
2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913460
1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione
CID 99837317
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915576
1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]piperidin-2-one
CID 133420344
2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913470
2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 139027048
3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-6-(trifluoromethyl)pyridazine
CID 133418446
3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one
CID 126896965

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913420) is 2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one is O=c1cccnn1CCN1CCN(c2ccc(C(F)(F)F)nn2)CC1.
What is the InChIKey of 2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is WRXOFIKYJXOABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c16-15(17,18)12-3-4-13(21-20-12)23-9-6-22(7-10-23)8-11-24-14(25)2-1-5-19-24/h1-5H,6-11H2.
What are the key properties of 2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 354.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).