4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol

C19H14F3N5O — CID 11222877

IUPAC4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)n2nc(Nc3ccc(O)cc3)ncc12
InChIInChI=1S/C19H14F3N5O/c1-11-16-10-23-18(25-14-5-7-15(28)8-6-14)26-27(16)17(24-11)12-3-2-4-13(9-12)19(20,21)22/h2-10,28H,1H3,(H,25,26)
InChIKeyYMPKHSQETUYUAL-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.57
Rot. Bonds3

About 4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol

4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol (PubChem CID 11222877) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol
PubChem CID11222877
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)n2nc(Nc3ccc(O)cc3)ncc12
InChIInChI=1S/C19H14F3N5O/c1-11-16-10-23-18(25-14-5-7-15(28)8-6-14)26-27(16)17(24-11)12-3-2-4-13(9-12)19(20,21)22/h2-10,28H,1H3,(H,25,26)
InChIKeyYMPKHSQETUYUAL-UHFFFAOYSA-N
XLogP4.57
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol?
The IUPAC name of 4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol (CID 11222877) is 4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol?
The canonical SMILES for 4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol is Cc1nc(-c2cccc(C(F)(F)F)c2)n2nc(Nc3ccc(O)cc3)ncc12.
What is the InChIKey of 4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol?
The InChIKey is YMPKHSQETUYUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-11-16-10-23-18(25-14-5-7-15(28)8-6-14)26-27(16)17(24-11)12-3-2-4-13(9-12)19(20,21)22/h2-10,28H,1H3,(H,25,26).
What are the key properties of 4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol?
4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol has a molecular weight of 385.35 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]phenol is sourced from PubChem (CID 11222877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).