2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol

C19H16F2N4O — CID 156514387

IUPAC2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol
SMILESC=Cc1cc(-c2nnc3n2CCNC3)cc(F)c1-c1c(O)cccc1F
InChIInChI=1S/C19H16F2N4O/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/h2-5,8-9,22,26H,1,6-7,10H2
InChIKeyIZIUVHFRUZOYLP-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.34
Rot. Bonds3

About 2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol

2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol (PubChem CID 156514387) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol.

Molecular Properties

Compound Name2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol
PubChem CID156514387
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol
SMILESC=Cc1cc(-c2nnc3n2CCNC3)cc(F)c1-c1c(O)cccc1F
InChIInChI=1S/C19H16F2N4O/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/h2-5,8-9,22,26H,1,6-7,10H2
InChIKeyIZIUVHFRUZOYLP-UHFFFAOYSA-N
XLogP3.34
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-Amino-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-1,3,5-triazin-2-yl]phenol
CID 136026130
(2R,3R)-1-[amino(2-aminoethyl)amino]-2-(2,4-difluorophenyl)-3-[2-(4-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]butan-2-ol
CID 90327265
2-[2-Chloro-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol
CID 156514380
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
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-[4-(5,6-Dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol
CID 175859553
3-Fluoro-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]phenol
CID 120826139
2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]phenol
CID 135842863
2-[6-(Aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol
CID 136702654
2-[7-(Aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol
CID 136702660
4-[7-(Aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol
CID 136751764

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol?
The IUPAC name of 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) is 2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol.
What is the SMILES notation for 2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol?
The canonical SMILES for 2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol is C=Cc1cc(-c2nnc3n2CCNC3)cc(F)c1-c1c(O)cccc1F.
What is the InChIKey of 2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol?
The InChIKey is IZIUVHFRUZOYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/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/h2-5,8-9,22,26H,1,6-7,10H2.
What are the key properties of 2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol?
2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol has a molecular weight of 354.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol is sourced from PubChem (CID 156514387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).