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

C17H15F2N5 — CID 118169403

IUPAC7-benzyl-8-(3,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESFc1cc(F)cc(C2c3nnnn3CCN2Cc2ccccc2)c1
InChIInChI=1S/C17H15F2N5/c18-14-8-13(9-15(19)10-14)16-17-20-21-22-24(17)7-6-23(16)11-12-4-2-1-3-5-12/h1-5,8-10,16H,6-7,11H2
InChIKeyYVHIHEWJIWYLMK-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.56
Rot. Bonds3

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

7-benzyl-8-(3,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169403) has the molecular formula C17H15F2N5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 7-benzyl-8-(3,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-benzyl-8-(3,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169403
Molecular FormulaC17H15F2N5
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name7-benzyl-8-(3,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESFc1cc(F)cc(C2c3nnnn3CCN2Cc2ccccc2)c1
InChIInChI=1S/C17H15F2N5/c18-14-8-13(9-15(19)10-14)16-17-20-21-22-24(17)7-6-23(16)11-12-4-2-1-3-5-12/h1-5,8-10,16H,6-7,11H2
InChIKeyYVHIHEWJIWYLMK-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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Related Compounds

1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperazin-1-yl)methyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158698
1-[(1-Benzyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine
CID 3193465
1-Benzhydryl-4-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-ylmethyl]-piperazine
CID 3209083
[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-diethyl-amine
CID 6603118
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158813
1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159170
1-((1-benzyl-1H-tetrazol-5-yl)(4-(trifluoromethyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159172
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-methyl-1,4-diazepane
CID 49865047
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-ethyl-1,4-diazepane
CID 49865048
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclopentyl-1,4-diazepane
CID 49865109
1-[4-(5-Benzhydryltetrazol-1-yl)butyl]-4-benzylpiperazine
CID 137656433
6-[4-(4-Fluorobenzyl)piperazin-1-yl]-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine
CID 46893453

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-(3,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-benzyl-8-(3,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169403) is 7-benzyl-8-(3,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-benzyl-8-(3,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-benzyl-8-(3,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is Fc1cc(F)cc(C2c3nnnn3CCN2Cc2ccccc2)c1.
What is the InChIKey of 7-benzyl-8-(3,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is YVHIHEWJIWYLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5/c18-14-8-13(9-15(19)10-14)16-17-20-21-22-24(17)7-6-23(16)11-12-4-2-1-3-5-12/h1-5,8-10,16H,6-7,11H2.
What are the key properties of 7-benzyl-8-(3,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-benzyl-8-(3,5-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-(3,5-difluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).