2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol

C19H14F2N4O — CID 175859553

IUPAC2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol
SMILESC=Cc1cc(-c2nnc3n2CCN=C3)cc(F)c1-c1c(O)cccc1F
InChIInChI=1S/C19H14F2N4O/c1-2-11-8-12(19-24-23-16-10-22-6-7-25(16)19)9-14(21)17(11)18-13(20)4-3-5-15(18)26/h2-5,8-10,26H,1,6-7H2
InChIKeyMWILEDFIZRNWNL-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.67
Rot. Bonds3

About 2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol

2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol (PubChem CID 175859553) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol.

Molecular Properties

Compound Name2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol
PubChem CID175859553
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol
SMILESC=Cc1cc(-c2nnc3n2CCN=C3)cc(F)c1-c1c(O)cccc1F
InChIInChI=1S/C19H14F2N4O/c1-2-11-8-12(19-24-23-16-10-22-6-7-25(16)19)9-14(21)17(11)18-13(20)4-3-5-15(18)26/h2-5,8-10,26H,1,6-7H2
InChIKeyMWILEDFIZRNWNL-UHFFFAOYSA-N
XLogP3.67
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{4-methyl-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazol-2-ium-3-yl}phenolate
CID 135495588
2-[4-Ethyl-5-[(2-hydroxyphenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dihydroisoindole-5-carbonitrile
CID 136553645
3,5-Bis(2-hydroxyphenyl)-1-(2,2,2-trifluoroethyl)-1h-[1,2,4]triazole
CID 135817459
2-[(Z)-1-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-5-(4-fluorophenyl)-1,2,4-triazol-1-yl]but-2-en-2-yl]-3,4-dihydroisoquinolin-2-ium-6-ol
CID 145588949
1-[3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-hydroxyphenyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]prop-2-en-1-one
CID 156514385
3-[3-Ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 156514386
2-[2-Ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol
CID 156514387
4-[1-[3-[4-(Trifluoromethyl)phenyl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenol
CID 164821645
2-[2-Chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol
CID 175859525
4-Chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol
CID 175859549
6-Chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol
CID 175859555
2-{3-[(1E)-2-(4-fluorophenyl)vinyl]-1-methyl-1,2,4-triazol-5-yl}phenol
CID 5306711

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol?
The IUPAC name of 2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol (CID 175859553) is 2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol.
What is the SMILES notation for 2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol?
The canonical SMILES for 2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol is C=Cc1cc(-c2nnc3n2CCN=C3)cc(F)c1-c1c(O)cccc1F.
What is the InChIKey of 2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol?
The InChIKey is MWILEDFIZRNWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c1-2-11-8-12(19-24-23-16-10-22-6-7-25(16)19)9-14(21)17(11)18-13(20)4-3-5-15(18)26/h2-5,8-10,26H,1,6-7H2.
What are the key properties of 2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol?
2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol has a molecular weight of 352.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol is sourced from PubChem (CID 175859553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).