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

C17H15F2N5 — CID 118169423

IUPAC7-benzyl-8-(2,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESFc1ccc(F)c(C2c3nnnn3CCN2Cc2ccccc2)c1
InChIInChI=1S/C17H15F2N5/c18-13-6-7-15(19)14(10-13)16-17-20-21-22-24(17)9-8-23(16)11-12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2
InChIKeyJAWNTGQBRRIVKU-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.56
Rot. Bonds3

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

7-benzyl-8-(2,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169423) has the molecular formula C17H15F2N5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 7-benzyl-8-(2,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-benzyl-8-(2,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169423
Molecular FormulaC17H15F2N5
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name7-benzyl-8-(2,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESFc1ccc(F)c(C2c3nnnn3CCN2Cc2ccccc2)c1
InChIInChI=1S/C17H15F2N5/c18-13-6-7-15(19)14(10-13)16-17-20-21-22-24(17)9-8-23(16)11-12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2
InChIKeyJAWNTGQBRRIVKU-UHFFFAOYSA-N
XLogP2.56
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-(2,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-benzyl-8-(2,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169423) is 7-benzyl-8-(2,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-benzyl-8-(2,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-benzyl-8-(2,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is Fc1ccc(F)c(C2c3nnnn3CCN2Cc2ccccc2)c1.
What is the InChIKey of 7-benzyl-8-(2,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is JAWNTGQBRRIVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5/c18-13-6-7-15(19)14(10-13)16-17-20-21-22-24(17)9-8-23(16)11-12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2.
What are the key properties of 7-benzyl-8-(2,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-benzyl-8-(2,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 327.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-(2,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).