N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline

C16H14IN5 — CID 14439385

IUPACN-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline
SMILESCN(/C=C/c1nnnn1-c1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C16H14IN5/c1-21(14-5-3-2-4-6-14)12-11-16-18-19-20-22(16)15-9-7-13(17)8-10-15/h2-12H,1H3/b12-11+
InChIKeySQPLGYULFLXKQW-VAWYXSNFSA-N
MW403.23 g/mol
LogP3.37
Rot. Bonds4

About N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline

N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline (PubChem CID 14439385) has the molecular formula C16H14IN5 and a molecular weight of 403.23 g/mol. Its IUPAC name is N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline
PubChem CID14439385
Molecular FormulaC16H14IN5
Molecular Weight403.23 g/mol
Exact Mass403.03
IUPAC NameN-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline
SMILESCN(/C=C/c1nnnn1-c1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C16H14IN5/c1-21(14-5-3-2-4-6-14)12-11-16-18-19-20-22(16)15-9-7-13(17)8-10-15/h2-12H,1H3/b12-11+
InChIKeySQPLGYULFLXKQW-VAWYXSNFSA-N
XLogP3.37
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine
CID 557780
N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline
CID 14439386
(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine
CID 5367722
5-ethenyl-1-phenyltetrazole
CID 12753529
1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole
CID 2825325
1-(4-ethylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
CID 92965167
1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
CID 92956545
dimethyl-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]azanium
CID 7213326
1-(4-iodophenyl)-5-propyltetrazole
CID 62081335
1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine
CID 6062005
2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid
CID 74520995
(E)-3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]prop-2-enoic acid
CID 82366492

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline?
The IUPAC name of N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline (CID 14439385) is N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline.
What is the SMILES notation for N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline?
The canonical SMILES for N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline is CN(/C=C/c1nnnn1-c1ccc(I)cc1)c1ccccc1.
What is the InChIKey of N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline?
The InChIKey is SQPLGYULFLXKQW-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H14IN5/c1-21(14-5-3-2-4-6-14)12-11-16-18-19-20-22(16)15-9-7-13(17)8-10-15/h2-12H,1H3/b12-11+.
What are the key properties of N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline?
N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline has a molecular weight of 403.23 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline is sourced from PubChem (CID 14439385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).