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

C17H15BrFN5 — CID 122638993

IUPAC7-[(3-bromophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESFc1cccc(C2c3nnnn3CCN2Cc2cccc(Br)c2)c1
InChIInChI=1S/C17H15BrFN5/c18-14-5-1-3-12(9-14)11-23-7-8-24-17(20-21-22-24)16(23)13-4-2-6-15(19)10-13/h1-6,9-10,16H,7-8,11H2
InChIKeyWPIRLMSXYZYJMG-UHFFFAOYSA-N
MW388.24 g/mol
LogP3.18
Rot. Bonds3

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

7-[(3-bromophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 122638993) has the molecular formula C17H15BrFN5 and a molecular weight of 388.24 g/mol. Its IUPAC name is 7-[(3-bromophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(3-bromophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID122638993
Molecular FormulaC17H15BrFN5
Molecular Weight388.24 g/mol
Exact Mass387.05
IUPAC Name7-[(3-bromophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESFc1cccc(C2c3nnnn3CCN2Cc2cccc(Br)c2)c1
InChIInChI=1S/C17H15BrFN5/c18-14-5-1-3-12(9-14)11-23-7-8-24-17(20-21-22-24)16(23)13-4-2-6-15(19)10-13/h1-6,9-10,16H,7-8,11H2
InChIKeyWPIRLMSXYZYJMG-UHFFFAOYSA-N
XLogP3.18
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-bromophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-[(3-bromophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 122638993) is 7-[(3-bromophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(3-bromophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[(3-bromophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is Fc1cccc(C2c3nnnn3CCN2Cc2cccc(Br)c2)c1.
What is the InChIKey of 7-[(3-bromophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is WPIRLMSXYZYJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN5/c18-14-5-1-3-12(9-14)11-23-7-8-24-17(20-21-22-24)16(23)13-4-2-6-15(19)10-13/h1-6,9-10,16H,7-8,11H2.
What are the key properties of 7-[(3-bromophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-[(3-bromophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 388.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-bromophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 122638993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).