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

C17H10Cl2F2N4O — CID 175859549

IUPAC4-chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol
SMILESOc1ccc(Cl)c(F)c1-c1c(F)cc(-c2nnc3n2CCN=C3)cc1Cl
InChIInChI=1S/C17H10Cl2F2N4O/c18-9-1-2-12(26)15(16(9)21)14-10(19)5-8(6-11(14)20)17-24-23-13-7-22-3-4-25(13)17/h1-2,5-7,26H,3-4H2
InChIKeyPLTGGOMHTHRROD-UHFFFAOYSA-N
MW395.20 g/mol
LogP4.34
Rot. Bonds2

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

4-chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol (PubChem CID 175859549) has the molecular formula C17H10Cl2F2N4O and a molecular weight of 395.20 g/mol. Its IUPAC name is 4-chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol.

Molecular Properties

Compound Name4-chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol
PubChem CID175859549
Molecular FormulaC17H10Cl2F2N4O
Molecular Weight395.20 g/mol
Exact Mass394.02
IUPAC Name4-chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol
SMILESOc1ccc(Cl)c(F)c1-c1c(F)cc(-c2nnc3n2CCN=C3)cc1Cl
InChIInChI=1S/C17H10Cl2F2N4O/c18-9-1-2-12(26)15(16(9)21)14-10(19)5-8(6-11(14)20)17-24-23-13-7-22-3-4-25(13)17/h1-2,5-7,26H,3-4H2
InChIKeyPLTGGOMHTHRROD-UHFFFAOYSA-N
XLogP4.34
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-[3-[3-chloro-4-(3,5-dichloro-2-fluoro-6-hydroxyphenyl)-5-fluorophenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]prop-2-en-1-one
CID 156498683
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
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
1-[3-[3-chloro-4-(3-chloro-6-fluoro-2-hydroxyphenyl)-5-fluorophenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]prop-2-en-1-one
CID 156514397
1-[3-[3-chloro-4-(3-chloro-2-fluoro-6-hydroxyphenyl)-5-fluorophenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]prop-2-en-1-one
CID 156514398
1-[3-[3-chloro-5-fluoro-4-(6-fluoro-2-hydroxy-3-methylphenyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]prop-2-en-1-one
CID 156514410
4-Chloro-3-[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]phenol
CID 171547795
2-[2-Chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol
CID 175859525
4,6-Dichloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol
CID 175859544
2-[4-(5,6-Dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-ethenyl-6-fluorophenyl]-3-fluorophenol
CID 175859553

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol?
The IUPAC name of 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) is 4-chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol.
What is the SMILES notation for 4-chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol?
The canonical SMILES for 4-chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol is Oc1ccc(Cl)c(F)c1-c1c(F)cc(-c2nnc3n2CCN=C3)cc1Cl.
What is the InChIKey of 4-chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol?
The InChIKey is PLTGGOMHTHRROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N4O/c18-9-1-2-12(26)15(16(9)21)14-10(19)5-8(6-11(14)20)17-24-23-13-7-22-3-4-25(13)17/h1-2,5-7,26H,3-4H2.
What are the key properties of 4-chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol?
4-chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol has a molecular weight of 395.20 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol is sourced from PubChem (CID 175859549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).