1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate

C16H11F3N3O2- — CID 57044100

IUPAC1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate
SMILES[O-]C1=C2Cc3ccccc3N2N(O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)11-5-7-12(8-6-11)20-15(23)14-9-10-3-1-2-4-13(10)21(14)22(20)24/h1-8,23-24H,9H2/p-1
InChIKeyIBFZHJDLZYJACK-UHFFFAOYSA-M
MW334.28 g/mol
LogP2.64
Rot. Bonds1

About 1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate

1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate (PubChem CID 57044100) has the molecular formula C16H11F3N3O2- and a molecular weight of 334.28 g/mol. Its IUPAC name is 1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate.

Molecular Properties

Compound Name1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate
PubChem CID57044100
Molecular FormulaC16H11F3N3O2-
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC Name1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate
SMILES[O-]C1=C2Cc3ccccc3N2N(O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)11-5-7-12(8-6-11)20-15(23)14-9-10-3-1-2-4-13(10)21(14)22(20)24/h1-8,23-24H,9H2/p-1
InChIKeyIBFZHJDLZYJACK-UHFFFAOYSA-M
XLogP2.64
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate
CID 173292428
1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3aH-triazolo[1,5-a]quinolin-3-one
CID 57199423
1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline
CID 68629558
1-hydroxy-2-[4-(trifluoromethyl)phenyl]-3a,4-dihydrotriazolo[1,5-a]quinazoline-3,5-dione
CID 57170754
[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate
CID 175464902
4-[4-(trifluoromethyl)phenyl]-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
CID 155665749
1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
CID 141283536
3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid
CID 163236033
N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
CID 15307981
1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one
CID 26986199
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
CID 141472105
5-hydroxy-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 54289121

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate?
The IUPAC name of 1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate (CID 57044100) is 1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate.
What is the SMILES notation for 1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate?
The canonical SMILES for 1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate is [O-]C1=C2Cc3ccccc3N2N(O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate?
The InChIKey is IBFZHJDLZYJACK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12F3N3O2/c17-16(18,19)11-5-7-12(8-6-11)20-15(23)14-9-10-3-1-2-4-13(10)21(14)22(20)24/h1-8,23-24H,9H2/p-1.
What are the key properties of 1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate?
1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate has a molecular weight of 334.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate is sourced from PubChem (CID 57044100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).