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

C18H18FN5O — CID 118169440

IUPAC7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCOc1ccc(C2c3nnnn3CCN2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN5O/c1-25-16-8-4-14(5-9-16)17-18-20-21-22-24(18)11-10-23(17)12-13-2-6-15(19)7-3-13/h2-9,17H,10-12H2,1H3
InChIKeyNTEDLFDYVQVNGO-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.43
Rot. Bonds4

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

7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169440) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169440
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCOc1ccc(C2c3nnnn3CCN2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN5O/c1-25-16-8-4-14(5-9-16)17-18-20-21-22-24(18)11-10-23(17)12-13-2-6-15(19)7-3-13/h2-9,17H,10-12H2,1H3
InChIKeyNTEDLFDYVQVNGO-UHFFFAOYSA-N
XLogP2.43
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.43
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
1-[(3,4-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
CID 654719
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)(3-(difluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44160009
1-((1-benzyl-1H-tetrazol-5-yl)(4-ethoxyphenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 49865449
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-(4-methoxy-phenyl)-piperazine
CID 648069
1-Benzo[1,3]dioxol-5-ylmethyl-4-[1-(1-benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperazine
CID 649639
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

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169440) is 7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is COc1ccc(C2c3nnnn3CCN2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is NTEDLFDYVQVNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-25-16-8-4-14(5-9-16)17-18-20-21-22-24(18)11-10-23(17)12-13-2-6-15(19)7-3-13/h2-9,17H,10-12H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 339.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).