4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one

C17H15F3N4O2 — CID 138994960

IUPAC4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one
SMILESCc1nnccc1C(=O)N1CCNC(=O)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N4O2/c1-10-13(6-7-22-23-10)16(26)24-9-8-21-15(25)14(24)11-2-4-12(5-3-11)17(18,19)20/h2-7,14H,8-9H2,1H3,(H,21,25)
InChIKeyYGZDYGBHYVASIS-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.12
Rot. Bonds2

About 4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one

4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one (PubChem CID 138994960) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one
PubChem CID138994960
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one
SMILESCc1nnccc1C(=O)N1CCNC(=O)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N4O2/c1-10-13(6-7-22-23-10)16(26)24-9-8-21-15(25)14(24)11-2-4-12(5-3-11)17(18,19)20/h2-7,14H,8-9H2,1H3,(H,21,25)
InChIKeyYGZDYGBHYVASIS-UHFFFAOYSA-N
XLogP2.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one?
The IUPAC name of 4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one (CID 138994960) is 4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one?
The canonical SMILES for 4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one is Cc1nnccc1C(=O)N1CCNC(=O)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one?
The InChIKey is YGZDYGBHYVASIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-10-13(6-7-22-23-10)16(26)24-9-8-21-15(25)14(24)11-2-4-12(5-3-11)17(18,19)20/h2-7,14H,8-9H2,1H3,(H,21,25).
What are the key properties of 4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one?
4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one has a molecular weight of 364.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyridazine-4-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 138994960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).