(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine

C11H12IN5 — CID 5367729

IUPAC(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine
SMILESCN(C)/C=C/c1nnnn1-c1ccc(I)cc1
InChIInChI=1S/C11H12IN5/c1-16(2)8-7-11-13-14-15-17(11)10-5-3-9(12)4-6-10/h3-8H,1-2H3/b8-7+
InChIKeySGZNOQTWBIMLDO-BQYQJAHWSA-N
MW341.16 g/mol
LogP1.80
Rot. Bonds3

About (E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine

(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine (PubChem CID 5367729) has the molecular formula C11H12IN5 and a molecular weight of 341.16 g/mol. Its IUPAC name is (E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine
PubChem CID5367729
Molecular FormulaC11H12IN5
Molecular Weight341.16 g/mol
Exact Mass341.01
IUPAC Name(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine
SMILESCN(C)/C=C/c1nnnn1-c1ccc(I)cc1
InChIInChI=1S/C11H12IN5/c1-16(2)8-7-11-13-14-15-17(11)10-5-3-9(12)4-6-10/h3-8H,1-2H3/b8-7+
InChIKeySGZNOQTWBIMLDO-BQYQJAHWSA-N
XLogP1.80
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine?
The IUPAC name of (E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine (CID 5367729) is (E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine is CN(C)/C=C/c1nnnn1-c1ccc(I)cc1.
What is the InChIKey of (E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine?
The InChIKey is SGZNOQTWBIMLDO-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H12IN5/c1-16(2)8-7-11-13-14-15-17(11)10-5-3-9(12)4-6-10/h3-8H,1-2H3/b8-7+.
What are the key properties of (E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine?
(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine has a molecular weight of 341.16 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[1-(4-iodophenyl)tetrazol-5-yl]-N,N-dimethylethenamine is sourced from PubChem (CID 5367729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).