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

C18H15ClF2N4O — CID 156514376

IUPAC3-[3-chloro-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1cccc(F)c1-c1c(F)cc(-c2nnc3n2CCNC3)cc1Cl
InChIInChI=1S/C18H15ClF2N4O/c1-26-14-4-2-3-12(20)17(14)16-11(19)7-10(8-13(16)21)18-24-23-15-9-22-5-6-25(15)18/h2-4,7-8,22H,5-6,9H2,1H3
InChIKeyQSUDVXDJKZOUBM-UHFFFAOYSA-N
MW376.79 g/mol
LogP3.66
Rot. Bonds3

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

3-[3-chloro-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 156514376) has the molecular formula C18H15ClF2N4O and a molecular weight of 376.79 g/mol. Its IUPAC name is 3-[3-chloro-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-chloro-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID156514376
Molecular FormulaC18H15ClF2N4O
Molecular Weight376.79 g/mol
Exact Mass376.09
IUPAC Name3-[3-chloro-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1cccc(F)c1-c1c(F)cc(-c2nnc3n2CCNC3)cc1Cl
InChIInChI=1S/C18H15ClF2N4O/c1-26-14-4-2-3-12(20)17(14)16-11(19)7-10(8-13(16)21)18-24-23-15-9-22-5-6-25(15)18/h2-4,7-8,22H,5-6,9H2,1H3
InChIKeyQSUDVXDJKZOUBM-UHFFFAOYSA-N
XLogP3.66
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134790125
3-(2-Chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 11523216
3-(2-Chlorophenyl)-5-[2-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazole
CID 11616978
3-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazole
CID 58243568
[3-Chloro-4-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]phenyl]methanamine
CID 58243753
5-[4-[8-[4-Chloro-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-4,5-dihydro-1,3-oxazole
CID 67953752
8-(4-chloro-3-fluorophenyl)-3-[3-methoxy-4-(2-methyl-3H-pyrrol-4-yl)phenyl]-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 144340420
1-[3-[3-chloro-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 156498614
tert-butyl 3-[3-chloro-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 156514375
1-[3-[3-chloro-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]prop-2-en-1-one
CID 156514378
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-chloro-5-fluoro-4-(2-fluoro-6-hydroxyphenyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-fluoroprop-2-en-1-one
CID 156514381

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-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-chloro-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 156514376) is 3-[3-chloro-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-chloro-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-chloro-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is COc1cccc(F)c1-c1c(F)cc(-c2nnc3n2CCNC3)cc1Cl.
What is the InChIKey of 3-[3-chloro-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QSUDVXDJKZOUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4O/c1-26-14-4-2-3-12(20)17(14)16-11(19)7-10(8-13(16)21)18-24-23-15-9-22-5-6-25(15)18/h2-4,7-8,22H,5-6,9H2,1H3.
What are the key properties of 3-[3-chloro-5-fluoro-4-(2-fluoro-6-methoxyphenyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-[3-chloro-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 376.79 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-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 156514376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).