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

C20H18F2N4O — CID 156514386

IUPAC3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC=Cc1cc(-c2nnc3n2CCNC3)cc(F)c1-c1c(F)cccc1OC
InChIInChI=1S/C20H18F2N4O/c1-3-12-9-13(20-25-24-17-11-23-7-8-26(17)20)10-15(22)18(12)19-14(21)5-4-6-16(19)27-2/h3-6,9-10,23H,1,7-8,11H2,2H3
InChIKeyKFMDPASBQZONAJ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.65
Rot. Bonds4

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

3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 156514386) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID156514386
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC=Cc1cc(-c2nnc3n2CCNC3)cc(F)c1-c1c(F)cccc1OC
InChIInChI=1S/C20H18F2N4O/c1-3-12-9-13(20-25-24-17-11-23-7-8-26(17)20)10-15(22)18(12)19-14(21)5-4-6-16(19)27-2/h3-6,9-10,23H,1,7-8,11H2,2H3
InChIKeyKFMDPASBQZONAJ-UHFFFAOYSA-N
XLogP3.65
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-Methoxynaphthalen-2-yl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11199934
1-(3-methoxyphenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 71873034
1-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 71929246
3-[4-(Difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62586076
3-[4-(Difluoromethoxy)phenyl]-5-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 76325854
2-[[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]benzonitrile
CID 53193654
3-{[3-(4-methoxyphenyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methyl}benzonitrile
CID 53193656
3-(4-Methoxyphenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
CID 53193670
7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134791472
(1S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 97334394
3-[2-(Difluoromethoxy)phenyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11595804
4-Methyl-3-(2-methylphenyl)-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 11702728

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 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) is 3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is C=Cc1cc(-c2nnc3n2CCNC3)cc(F)c1-c1c(F)cccc1OC.
What is the InChIKey of 3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KFMDPASBQZONAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-3-12-9-13(20-25-24-17-11-23-7-8-26(17)20)10-15(22)18(12)19-14(21)5-4-6-16(19)27-2/h3-6,9-10,23H,1,7-8,11H2,2H3.
What are the key properties of 3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 368.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethenyl-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 156514386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).