[5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone

C15H13F4N5O — CID 53493507

IUPAC[5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1C(F)(F)F)N1CCN(c2nccnn2)CC1
InChIInChI=1S/C15H13F4N5O/c16-10-1-2-12(15(17,18)19)11(9-10)13(25)23-5-7-24(8-6-23)14-20-3-4-21-22-14/h1-4,9H,5-8H2
InChIKeyLFAJATMHNQXJHQ-UHFFFAOYSA-N
MW355.30 g/mol
LogP1.99
Rot. Bonds2

About [5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone

[5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone (PubChem CID 53493507) has the molecular formula C15H13F4N5O and a molecular weight of 355.30 g/mol. Its IUPAC name is [5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone
PubChem CID53493507
Molecular FormulaC15H13F4N5O
Molecular Weight355.30 g/mol
Exact Mass355.11
IUPAC Name[5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1C(F)(F)F)N1CCN(c2nccnn2)CC1
InChIInChI=1S/C15H13F4N5O/c16-10-1-2-12(15(17,18)19)11(9-10)13(25)23-5-7-24(8-6-23)14-20-3-4-21-22-14/h1-4,9H,5-8H2
InChIKeyLFAJATMHNQXJHQ-UHFFFAOYSA-N
XLogP1.99
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-fluoro-2-(trifluoromethyl)phenyl]-(4-pentylpiperazin-1-yl)methanone
CID 174546049
[4-(2-fluorophenyl)-2-(trifluoromethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 69149809
N-(2-cyclobutylethyl)-6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11294562
3-(4-fluorophenyl)-N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrazole-5-carboxamide
CID 46832118
3-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-6-pentyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 91431980
(5-fluoro-2-iodophenyl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 86905086
(2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4838574
aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone
CID 130874927
5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide
CID 136559252
1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-[[[5-fluoro-2-(trifluoromethyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 91399709
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
4-(diethylaminosulfanyl)-2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzaldehyde
CID 166706554

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of [5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone (CID 53493507) is [5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for [5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone is O=C(c1cc(F)ccc1C(F)(F)F)N1CCN(c2nccnn2)CC1.
What is the InChIKey of [5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is LFAJATMHNQXJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N5O/c16-10-1-2-12(15(17,18)19)11(9-10)13(25)23-5-7-24(8-6-23)14-20-3-4-21-22-14/h1-4,9H,5-8H2.
What are the key properties of [5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone?
[5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 355.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 53493507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).