2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride

C13H19BrClN5 — CID 3074489

IUPAC2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCn1nnc(-c2ccc(Br)cc2)n1.Cl
InChIInChI=1S/C13H18BrN5.ClH/c1-3-18(4-2)9-10-19-16-13(15-17-19)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10H2,1-2H3;1H
InChIKeyCWGNJRDNIBULFX-UHFFFAOYSA-N
MW360.69 g/mol
LogP2.87
Rot. Bonds6

About 2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride

2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride (PubChem CID 3074489) has the molecular formula C13H19BrClN5 and a molecular weight of 360.69 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride
PubChem CID3074489
Molecular FormulaC13H19BrClN5
Molecular Weight360.69 g/mol
Exact Mass359.05
IUPAC Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCn1nnc(-c2ccc(Br)cc2)n1.Cl
InChIInChI=1S/C13H18BrN5.ClH/c1-3-18(4-2)9-10-19-16-13(15-17-19)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10H2,1-2H3;1H
InChIKeyCWGNJRDNIBULFX-UHFFFAOYSA-N
XLogP2.87
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.69
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride?
The IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride (CID 3074489) is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride.
What is the SMILES notation for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride?
The canonical SMILES for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride is CCN(CC)CCn1nnc(-c2ccc(Br)cc2)n1.Cl.
What is the InChIKey of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride?
The InChIKey is CWGNJRDNIBULFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5.ClH/c1-3-18(4-2)9-10-19-16-13(15-17-19)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10H2,1-2H3;1H.
What are the key properties of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride?
2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride has a molecular weight of 360.69 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N,N-diethylethanamine;hydrochloride is sourced from PubChem (CID 3074489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).