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

C18H18BrN5 — CID 118169476

IUPAC7-[(3-bromophenyl)methyl]-8-(3-methylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCc1cccc(C2c3nnnn3CCN2Cc2cccc(Br)c2)c1
InChIInChI=1S/C18H18BrN5/c1-13-4-2-6-15(10-13)17-18-20-21-22-24(18)9-8-23(17)12-14-5-3-7-16(19)11-14/h2-7,10-11,17H,8-9,12H2,1H3
InChIKeyCMBCCXBVSAKMBX-UHFFFAOYSA-N
MW384.28 g/mol
LogP3.35
Rot. Bonds3

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

7-[(3-bromophenyl)methyl]-8-(3-methylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169476) has the molecular formula C18H18BrN5 and a molecular weight of 384.28 g/mol. Its IUPAC name is 7-[(3-bromophenyl)methyl]-8-(3-methylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(3-bromophenyl)methyl]-8-(3-methylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169476
Molecular FormulaC18H18BrN5
Molecular Weight384.28 g/mol
Exact Mass383.07
IUPAC Name7-[(3-bromophenyl)methyl]-8-(3-methylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCc1cccc(C2c3nnnn3CCN2Cc2cccc(Br)c2)c1
InChIInChI=1S/C18H18BrN5/c1-13-4-2-6-15(10-13)17-18-20-21-22-24(18)9-8-23(17)12-14-5-3-7-16(19)11-14/h2-7,10-11,17H,8-9,12H2,1H3
InChIKeyCMBCCXBVSAKMBX-UHFFFAOYSA-N
XLogP3.35
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.35
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-methylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-[(3-bromophenyl)methyl]-8-(3-methylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169476) is 7-[(3-bromophenyl)methyl]-8-(3-methylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(3-bromophenyl)methyl]-8-(3-methylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[(3-bromophenyl)methyl]-8-(3-methylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is Cc1cccc(C2c3nnnn3CCN2Cc2cccc(Br)c2)c1.
What is the InChIKey of 7-[(3-bromophenyl)methyl]-8-(3-methylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is CMBCCXBVSAKMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5/c1-13-4-2-6-15(10-13)17-18-20-21-22-24(18)9-8-23(17)12-14-5-3-7-16(19)11-14/h2-7,10-11,17H,8-9,12H2,1H3.
What are the key properties of 7-[(3-bromophenyl)methyl]-8-(3-methylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-[(3-bromophenyl)methyl]-8-(3-methylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 384.28 g/mol, XLogP of 3.35, 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-methylphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).