8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

C21H24FN5O — CID 118169442

IUPAC8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCCCCOc1ccc(C2c3nnnn3CCN2Cc2ccccc2F)cc1
InChIInChI=1S/C21H24FN5O/c1-2-3-14-28-18-10-8-16(9-11-18)20-21-23-24-25-27(21)13-12-26(20)15-17-6-4-5-7-19(17)22/h4-11,20H,2-3,12-15H2,1H3
InChIKeyVCNNRJQABHSKQD-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.60
Rot. Bonds7

About 8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169442) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169442
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCCCCOc1ccc(C2c3nnnn3CCN2Cc2ccccc2F)cc1
InChIInChI=1S/C21H24FN5O/c1-2-3-14-28-18-10-8-16(9-11-18)20-21-23-24-25-27(21)13-12-26(20)15-17-6-4-5-7-19(17)22/h4-11,20H,2-3,12-15H2,1H3
InChIKeyVCNNRJQABHSKQD-UHFFFAOYSA-N
XLogP3.60
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169442) is 8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is CCCCOc1ccc(C2c3nnnn3CCN2Cc2ccccc2F)cc1.
What is the InChIKey of 8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is VCNNRJQABHSKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-2-3-14-28-18-10-8-16(9-11-18)20-21-23-24-25-27(21)13-12-26(20)15-17-6-4-5-7-19(17)22/h4-11,20H,2-3,12-15H2,1H3.
What are the key properties of 8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 381.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-butoxyphenyl)-7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).