6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile

C17H14F3N5O — CID 133418334

IUPAC6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nn1
InChIInChI=1S/C17H14F3N5O/c18-17(19,20)13-3-1-12(2-4-13)16(26)25-9-7-24(8-10-25)15-6-5-14(11-21)22-23-15/h1-6H,7-10H2
InChIKeyYAALHFDZGDDGIO-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.33
Rot. Bonds2

About 6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile

6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile (PubChem CID 133418334) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is 6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile
PubChem CID133418334
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC Name6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nn1
InChIInChI=1S/C17H14F3N5O/c18-17(19,20)13-3-1-12(2-4-13)16(26)25-9-7-24(8-10-25)15-6-5-14(11-21)22-23-15/h1-6H,7-10H2
InChIKeyYAALHFDZGDDGIO-UHFFFAOYSA-N
XLogP2.33
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carbonitrile
CID 133433565
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121058164
[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 30773742
4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 30863667
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950861
(4-tert-butylphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053458
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683
4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122334084
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonitrile
CID 39381919
[4-(4-hydroxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 8779377

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile (CID 133418334) is 6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile is N#Cc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nn1.
What is the InChIKey of 6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is YAALHFDZGDDGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c18-17(19,20)13-3-1-12(2-4-13)16(26)25-9-7-24(8-10-25)15-6-5-14(11-21)22-23-15/h1-6H,7-10H2.
What are the key properties of 6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile?
6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 361.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133418334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).