2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate

C16H14F3N3O2 — CID 173292428

IUPAC2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate
SMILESO.OC1=C2Cc3ccccc3N2NN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O.H2O/c17-16(18,19)11-5-7-12(8-6-11)21-15(23)14-9-10-3-1-2-4-13(10)22(14)20-21;/h1-8,20,23H,9H2;1H2
InChIKeyACSOKCDCKAKSQM-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.91
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate

2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate (PubChem CID 173292428) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate
PubChem CID173292428
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate
SMILESO.OC1=C2Cc3ccccc3N2NN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O.H2O/c17-16(18,19)11-5-7-12(8-6-11)21-15(23)14-9-10-3-1-2-4-13(10)22(14)20-21;/h1-8,20,23H,9H2;1H2
InChIKeyACSOKCDCKAKSQM-UHFFFAOYSA-N
XLogP2.91
TPSA70.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4H-triazolo[1,5-a]indol-3-olate
CID 57044100
3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one
CID 70284649
5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol
CID 70281397
3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one
CID 70285916
4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-3-one;hydrate
CID 162541798
1-[4-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione
CID 131870999
3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid
CID 163236033
[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-3-yl] carbamate
CID 175464902
4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol
CID 139832962
4-[4-(trifluoromethyl)phenyl]-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
CID 155665749
1-hydroxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3aH-triazolo[1,5-a]quinolin-3-one
CID 57199423
10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine
CID 134169811

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate (CID 173292428) is 2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate is O.OC1=C2Cc3ccccc3N2NN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate?
The InChIKey is ACSOKCDCKAKSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O.H2O/c17-16(18,19)11-5-7-12(8-6-11)21-15(23)14-9-10-3-1-2-4-13(10)22(14)20-21;/h1-8,20,23H,9H2;1H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate?
2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate has a molecular weight of 337.30 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate is sourced from PubChem (CID 173292428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).