8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

C19H20FN5O — CID 118169401

IUPAC8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCCOc1ccc(C2c3nnnn3CCN2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FN5O/c1-2-26-17-9-5-15(6-10-17)18-19-21-22-23-25(19)12-11-24(18)13-14-3-7-16(20)8-4-14/h3-10,18H,2,11-13H2,1H3
InChIKeyFZQHFHJOXXHRMM-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.82
Rot. Bonds5

About 8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169401) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169401
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCCOc1ccc(C2c3nnnn3CCN2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FN5O/c1-2-26-17-9-5-15(6-10-17)18-19-21-22-23-25(19)12-11-24(18)13-14-3-7-16(20)8-4-14/h3-10,18H,2,11-13H2,1H3
InChIKeyFZQHFHJOXXHRMM-UHFFFAOYSA-N
XLogP2.82
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-ylmethyl]-1,2,3,4-tetrahydro-isoquinoline
CID 9549627
7-(4-Ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 662134
1-[(3,4-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
CID 654719
1-((1-benzyl-1H-tetrazol-5-yl)(2,3-dihydrobenzofuran-5-yl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158485
1-((1-benzyl-1H-tetrazol-5-yl)(4-(difluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158590
1-((1-benzyl-1H-tetrazol-5-yl)(4-(trifluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159046
1-((1-benzyl-1H-tetrazol-5-yl)(4-ethoxyphenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 49865449
2-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2-methoxy-phenyl)-methyl]-octahydro-pyrrolo[1,2-a]pyrazine
CID 650070
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 651386
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-4-phenyl-piperazine
CID 654297
5-(4-methoxyphenyl)-1-(2-phenylethyl)-1H-tetrazole
CID 892565

Frequently Asked Questions

What is the IUPAC name of 8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169401) is 8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is CCOc1ccc(C2c3nnnn3CCN2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is FZQHFHJOXXHRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-2-26-17-9-5-15(6-10-17)18-19-21-22-23-25(19)12-11-24(18)13-14-3-7-16(20)8-4-14/h3-10,18H,2,11-13H2,1H3.
What are the key properties of 8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 353.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethoxyphenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).