benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium

C20H25FN5+ — CID 7140971

IUPACbenzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium
SMILESCC(C)(C)n1nnnc1C[NH+](Cc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C20H24FN5/c1-20(2,3)26-19(22-23-24-26)15-25(13-16-7-5-4-6-8-16)14-17-9-11-18(21)12-10-17/h4-12H,13-15H2,1-3H3/p+1
InChIKeyFGVZOXXIDDDAPD-UHFFFAOYSA-O
MW354.45 g/mol
LogP2.35
Rot. Bonds6

About benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium

benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium (PubChem CID 7140971) has the molecular formula C20H25FN5+ and a molecular weight of 354.45 g/mol. Its IUPAC name is benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Namebenzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium
PubChem CID7140971
Molecular FormulaC20H25FN5+
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Namebenzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium
SMILESCC(C)(C)n1nnnc1C[NH+](Cc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C20H24FN5/c1-20(2,3)26-19(22-23-24-26)15-25(13-16-7-5-4-6-8-16)14-17-9-11-18(21)12-10-17/h4-12H,13-15H2,1-3H3/p+1
InChIKeyFGVZOXXIDDDAPD-UHFFFAOYSA-O
XLogP2.35
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)(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-[(1-Benzyl-1H-tetrazol-5-yl)-(3-trifluoromethyl-phenyl)-methyl]-4-methyl-piperazine
CID 646451
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(3-trifluoromethyl-phenyl)-methyl]-4-methyl-piperazine
CID 650233
3-[(Benzyl-ethyl-amino)-(1-tert-butyl-1H-tetrazol-5-yl)-methyl]-benzonitrile
CID 652657
1-Cyclohexyl-4-{1-[1-(4-fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-piperazine
CID 655799
N-benzyl-N-[(1-benzyltetrazol-5-yl)methyl]ethanamine
CID 1431154

Frequently Asked Questions

What is the IUPAC name of benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium (CID 7140971) is benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium is CC(C)(C)n1nnnc1C[NH+](Cc1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium?
The InChIKey is FGVZOXXIDDDAPD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24FN5/c1-20(2,3)26-19(22-23-24-26)15-25(13-16-7-5-4-6-8-16)14-17-9-11-18(21)12-10-17/h4-12H,13-15H2,1-3H3/p+1.
What are the key properties of benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium?
benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium has a molecular weight of 354.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(1-tert-butyltetrazol-5-yl)methyl]-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 7140971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).