(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine

C13H16BrN5 — CID 5369073

IUPAC(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine
SMILESCCN(/C=C/c1nnnn1-c1ccc(Br)cc1)CC
InChIInChI=1S/C13H16BrN5/c1-3-18(4-2)10-9-13-15-16-17-19(13)12-7-5-11(14)6-8-12/h5-10H,3-4H2,1-2H3/b10-9+
InChIKeyTXYDLQHXSMWVNN-MDZDMXLPSA-N
MW322.21 g/mol
LogP2.74
Rot. Bonds5

About (E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine

(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine (PubChem CID 5369073) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is (E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine.

Molecular Properties

Compound Name(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine
PubChem CID5369073
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC Name(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine
SMILESCCN(/C=C/c1nnnn1-c1ccc(Br)cc1)CC
InChIInChI=1S/C13H16BrN5/c1-3-18(4-2)10-9-13-15-16-17-19(13)12-7-5-11(14)6-8-12/h5-10H,3-4H2,1-2H3/b10-9+
InChIKeyTXYDLQHXSMWVNN-MDZDMXLPSA-N
XLogP2.74
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine?
The IUPAC name of (E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine (CID 5369073) is (E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine.
What is the SMILES notation for (E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine?
The canonical SMILES for (E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine is CCN(/C=C/c1nnnn1-c1ccc(Br)cc1)CC.
What is the InChIKey of (E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine?
The InChIKey is TXYDLQHXSMWVNN-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-3-18(4-2)10-9-13-15-16-17-19(13)12-7-5-11(14)6-8-12/h5-10H,3-4H2,1-2H3/b10-9+.
What are the key properties of (E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine?
(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine has a molecular weight of 322.21 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[1-(4-bromophenyl)tetrazol-5-yl]-N,N-diethylethenamine is sourced from PubChem (CID 5369073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).