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

C17H16BrN5 — CID 118169514

IUPAC7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESBrc1cccc(C2c3nnnn3CCN2Cc2ccccc2)c1
InChIInChI=1S/C17H16BrN5/c18-15-8-4-7-14(11-15)16-17-19-20-21-23(17)10-9-22(16)12-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2
InChIKeyZWSMKBLEYUHUJK-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.04
Rot. Bonds3

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

7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169514) has the molecular formula C17H16BrN5 and a molecular weight of 370.25 g/mol. Its IUPAC name is 7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169514
Molecular FormulaC17H16BrN5
Molecular Weight370.25 g/mol
Exact Mass369.06
IUPAC Name7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESBrc1cccc(C2c3nnnn3CCN2Cc2ccccc2)c1
InChIInChI=1S/C17H16BrN5/c18-15-8-4-7-14(11-15)16-17-19-20-21-23(17)10-9-22(16)12-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2
InChIKeyZWSMKBLEYUHUJK-UHFFFAOYSA-N
XLogP3.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169514) is 7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is Brc1cccc(C2c3nnnn3CCN2Cc2ccccc2)c1.
What is the InChIKey of 7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is ZWSMKBLEYUHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5/c18-15-8-4-7-14(11-15)16-17-19-20-21-23(17)10-9-22(16)12-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2.
What are the key properties of 7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 370.25 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-(3-bromophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).