3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C18H17F2N5 — CID 167813716

IUPAC3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccccc1Cc1nnc2n1CCN(Cc1ncccc1F)C2
InChIInChI=1S/C18H17F2N5/c19-14-5-2-1-4-13(14)10-17-22-23-18-12-24(8-9-25(17)18)11-16-15(20)6-3-7-21-16/h1-7H,8-12H2
InChIKeyBBPRPPXIVMFVHY-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.56
Rot. Bonds4

About 3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 167813716) has the molecular formula C18H17F2N5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID167813716
Molecular FormulaC18H17F2N5
Molecular Weight341.36 g/mol
Exact Mass341.15
IUPAC Name3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccccc1Cc1nnc2n1CCN(Cc1ncccc1F)C2
InChIInChI=1S/C18H17F2N5/c19-14-5-2-1-4-13(14)10-17-22-23-18-12-24(8-9-25(17)18)11-16-15(20)6-3-7-21-16/h1-7H,8-12H2
InChIKeyBBPRPPXIVMFVHY-UHFFFAOYSA-N
XLogP2.56
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 167813716) is 3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ccccc1Cc1nnc2n1CCN(Cc1ncccc1F)C2.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BBPRPPXIVMFVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5/c19-14-5-2-1-4-13(14)10-17-22-23-18-12-24(8-9-25(17)18)11-16-15(20)6-3-7-21-16/h1-7H,8-12H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 341.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 167813716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).