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

C19H20BrN5 — CID 133081657

IUPAC7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCc1cc(C)cc(C2c3nnnn3CCN2Cc2cccc(Br)c2)c1
InChIInChI=1S/C19H20BrN5/c1-13-8-14(2)10-16(9-13)18-19-21-22-23-25(19)7-6-24(18)12-15-4-3-5-17(20)11-15/h3-5,8-11,18H,6-7,12H2,1-2H3
InChIKeyJZPHPAGPMLICCH-UHFFFAOYSA-N
MW398.31 g/mol
LogP3.66
Rot. Bonds3

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

7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 133081657) has the molecular formula C19H20BrN5 and a molecular weight of 398.31 g/mol. Its IUPAC name is 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID133081657
Molecular FormulaC19H20BrN5
Molecular Weight398.31 g/mol
Exact Mass397.09
IUPAC Name7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCc1cc(C)cc(C2c3nnnn3CCN2Cc2cccc(Br)c2)c1
InChIInChI=1S/C19H20BrN5/c1-13-8-14(2)10-16(9-13)18-19-21-22-23-25(19)7-6-24(18)12-15-4-3-5-17(20)11-15/h3-5,8-11,18H,6-7,12H2,1-2H3
InChIKeyJZPHPAGPMLICCH-UHFFFAOYSA-N
XLogP3.66
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 53.66
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-(3,5-dimethylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 133081657) is 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is Cc1cc(C)cc(C2c3nnnn3CCN2Cc2cccc(Br)c2)c1.
What is the InChIKey of 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is JZPHPAGPMLICCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5/c1-13-8-14(2)10-16(9-13)18-19-21-22-23-25(19)7-6-24(18)12-15-4-3-5-17(20)11-15/h3-5,8-11,18H,6-7,12H2,1-2H3.
What are the key properties of 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-[(3-bromophenyl)methyl]-8-(3,5-dimethylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 398.31 g/mol, XLogP of 3.66, 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-(3,5-dimethylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 133081657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).