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

C17H11ClF2N4O — CID 175859525

IUPAC2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol
SMILESOc1cccc(F)c1-c1c(F)cc(-c2nnc3n2CCN=C3)cc1Cl
InChIInChI=1S/C17H11ClF2N4O/c18-10-6-9(17-23-22-14-8-21-4-5-24(14)17)7-12(20)15(10)16-11(19)2-1-3-13(16)25/h1-3,6-8,25H,4-5H2
InChIKeyDOTHBFCKKSEHNK-UHFFFAOYSA-N
MW360.75 g/mol
LogP3.68
Rot. Bonds2

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

2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol (PubChem CID 175859525) has the molecular formula C17H11ClF2N4O and a molecular weight of 360.75 g/mol. Its IUPAC name is 2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol.

Molecular Properties

Compound Name2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol
PubChem CID175859525
Molecular FormulaC17H11ClF2N4O
Molecular Weight360.75 g/mol
Exact Mass360.06
IUPAC Name2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol
SMILESOc1cccc(F)c1-c1c(F)cc(-c2nnc3n2CCN=C3)cc1Cl
InChIInChI=1S/C17H11ClF2N4O/c18-10-6-9(17-23-22-14-8-21-4-5-24(14)17)7-12(20)15(10)16-11(19)2-1-3-13(16)25/h1-3,6-8,25H,4-5H2
InChIKeyDOTHBFCKKSEHNK-UHFFFAOYSA-N
XLogP3.68
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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 2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol (CID 175859525) is 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 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 2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol is Oc1cccc(F)c1-c1c(F)cc(-c2nnc3n2CCN=C3)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol?
The InChIKey is DOTHBFCKKSEHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N4O/c18-10-6-9(17-23-22-14-8-21-4-5-24(14)17)7-12(20)15(10)16-11(19)2-1-3-13(16)25/h1-3,6-8,25H,4-5H2.
What are the key properties of 2-[2-chloro-4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-6-fluorophenyl]-3-fluorophenol?
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 360.75 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 175859525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).