[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

C17H17F3N4O2 — CID 122341284

IUPAC[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)nn1
InChIInChI=1S/C17H17F3N4O2/c1-12-6-7-15(22-21-12)23-8-10-24(11-9-23)16(25)13-4-2-3-5-14(13)26-17(18,19)20/h2-7H,8-11H2,1H3
InChIKeyHNIFCWHJRKXDAJ-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.65
Rot. Bonds3

About [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 122341284) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID122341284
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)nn1
InChIInChI=1S/C17H17F3N4O2/c1-12-6-7-15(22-21-12)23-8-10-24(11-9-23)16(25)13-4-2-3-5-14(13)26-17(18,19)20/h2-7H,8-11H2,1H3
InChIKeyHNIFCWHJRKXDAJ-UHFFFAOYSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122334401
6-[4-[2-(trifluoromethoxy)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66850153
[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122339279
[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122347680
(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 111463148
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122345851
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 56699157
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292349
(2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292470
(2-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755273

Frequently Asked Questions

What is the IUPAC name of [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 122341284) is [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is Cc1ccc(N2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)nn1.
What is the InChIKey of [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is HNIFCWHJRKXDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-12-6-7-15(22-21-12)23-8-10-24(11-9-23)16(25)13-4-2-3-5-14(13)26-17(18,19)20/h2-7H,8-11H2,1H3.
What are the key properties of [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 366.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 122341284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).