diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium

C14H20N5+ — CID 7177115

IUPACdiethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium
SMILESCC[NH+](/C=C/c1nnnn1-c1ccc(C)cc1)CC
InChIInChI=1S/C14H19N5/c1-4-18(5-2)11-10-14-15-16-17-19(14)13-8-6-12(3)7-9-13/h6-11H,4-5H2,1-3H3/p+1/b11-10+
InChIKeyWAEAOOOBMCDKHN-ZHACJKMWSA-O
MW258.35 g/mol
LogP0.87
Rot. Bonds5

About diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium

diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium (PubChem CID 7177115) has the molecular formula C14H20N5+ and a molecular weight of 258.35 g/mol. Its IUPAC name is diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium.

Molecular Properties

Compound Namediethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium
PubChem CID7177115
Molecular FormulaC14H20N5+
Molecular Weight258.35 g/mol
Exact Mass258.17
IUPAC Namediethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium
SMILESCC[NH+](/C=C/c1nnnn1-c1ccc(C)cc1)CC
InChIInChI=1S/C14H19N5/c1-4-18(5-2)11-10-14-15-16-17-19(14)13-8-6-12(3)7-9-13/h6-11H,4-5H2,1-3H3/p+1/b11-10+
InChIKeyWAEAOOOBMCDKHN-ZHACJKMWSA-O
XLogP0.87
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine
CID 557780
1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
CID 92956545
1-(4-ethylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
CID 92965167
dimethyl-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]azanium
CID 7213326
4-chloro-2-fluoro-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5368531
1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 10403670
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
1-(3-chlorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazin-4-ium
CID 7225537
(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine
CID 5367722
1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole
CID 2825325
1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone
CID 84670641
1-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 7201534

Frequently Asked Questions

What is the IUPAC name of diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium?
The IUPAC name of diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium (CID 7177115) is diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium.
What is the SMILES notation for diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium?
The canonical SMILES for diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium is CC[NH+](/C=C/c1nnnn1-c1ccc(C)cc1)CC.
What is the InChIKey of diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium?
The InChIKey is WAEAOOOBMCDKHN-ZHACJKMWSA-O. The full InChI is InChI=1S/C14H19N5/c1-4-18(5-2)11-10-14-15-16-17-19(14)13-8-6-12(3)7-9-13/h6-11H,4-5H2,1-3H3/p+1/b11-10+.
What are the key properties of diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium?
diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium has a molecular weight of 258.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium is sourced from PubChem (CID 7177115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).