8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

C17H14F3N5 — CID 118169452

IUPAC8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESFc1cccc(CN2CCn3nnnc3C2c2cccc(F)c2F)c1
InChIInChI=1S/C17H14F3N5/c18-12-4-1-3-11(9-12)10-24-7-8-25-17(21-22-23-25)16(24)13-5-2-6-14(19)15(13)20/h1-6,9,16H,7-8,10H2
InChIKeyDYGQXIICWDOAFF-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.70
Rot. Bonds3

About 8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169452) has the molecular formula C17H14F3N5 and a molecular weight of 345.33 g/mol. Its IUPAC name is 8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169452
Molecular FormulaC17H14F3N5
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESFc1cccc(CN2CCn3nnnc3C2c2cccc(F)c2F)c1
InChIInChI=1S/C17H14F3N5/c18-12-4-1-3-11(9-12)10-24-7-8-25-17(21-22-23-25)16(24)13-5-2-6-14(19)15(13)20/h1-6,9,16H,7-8,10H2
InChIKeyDYGQXIICWDOAFF-UHFFFAOYSA-N
XLogP2.70
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169452) is 8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is Fc1cccc(CN2CCn3nnnc3C2c2cccc(F)c2F)c1.
What is the InChIKey of 8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is DYGQXIICWDOAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5/c18-12-4-1-3-11(9-12)10-24-7-8-25-17(21-22-23-25)16(24)13-5-2-6-14(19)15(13)20/h1-6,9,16H,7-8,10H2.
What are the key properties of 8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 345.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-difluorophenyl)-7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).