3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one

C16H11F3N4O2 — CID 70284649

IUPAC3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one
SMILESO=C1Nc2ccccc2N2NN(c3ccc(C(F)(F)F)cc3)C(O)=C12
InChIInChI=1S/C16H11F3N4O2/c17-16(18,19)9-5-7-10(8-6-9)22-15(25)13-14(24)20-11-3-1-2-4-12(11)23(13)21-22/h1-8,21,25H,(H,20,24)
InChIKeyQJGDRWRHENBEJC-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.13
Rot. Bonds1

About 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one

3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one (PubChem CID 70284649) has the molecular formula C16H11F3N4O2 and a molecular weight of 348.28 g/mol. Its IUPAC name is 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one
PubChem CID70284649
Molecular FormulaC16H11F3N4O2
Molecular Weight348.28 g/mol
Exact Mass348.08
IUPAC Name3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one
SMILESO=C1Nc2ccccc2N2NN(c3ccc(C(F)(F)F)cc3)C(O)=C12
InChIInChI=1S/C16H11F3N4O2/c17-16(18,19)9-5-7-10(8-6-9)22-15(25)13-14(24)20-11-3-1-2-4-12(11)23(13)21-22/h1-8,21,25H,(H,20,24)
InChIKeyQJGDRWRHENBEJC-UHFFFAOYSA-N
XLogP3.13
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol
CID 70281397
4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-3-one;hydrate
CID 162541798
3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one
CID 70285916
2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate
CID 173292428
4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol
CID 139832962
4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol
CID 139832943
1-[4-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione
CID 131870999
(3E)-3-[[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 22302892
3-[[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 2741734
8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 18690864
4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 139668299
1-hydroxy-2-[4-(trifluoromethyl)phenyl]-3a,4-dihydrotriazolo[1,5-a]quinazoline-3,5-dione
CID 57170754

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one (CID 70284649) is 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one is O=C1Nc2ccccc2N2NN(c3ccc(C(F)(F)F)cc3)C(O)=C12.
What is the InChIKey of 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one?
The InChIKey is QJGDRWRHENBEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2/c17-16(18,19)9-5-7-10(8-6-9)22-15(25)13-14(24)20-11-3-1-2-4-12(11)23(13)21-22/h1-8,21,25H,(H,20,24).
What are the key properties of 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one?
3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one has a molecular weight of 348.28 g/mol, XLogP of 3.13, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 70284649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).