2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole

C18H24Br2N8 — CID 10625565

IUPAC2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole
SMILESBrCCCCCn1nnc(-c2cccc(-c3nnn(CCCCCBr)n3)c2)n1
InChIInChI=1S/C18H24Br2N8/c19-10-3-1-5-12-27-23-17(21-25-27)15-8-7-9-16(14-15)18-22-26-28(24-18)13-6-2-4-11-20/h7-9,14H,1-6,10-13H2
InChIKeySPSGPGAWJQGYER-UHFFFAOYSA-N
MW512.25 g/mol
LogP4.12
Rot. Bonds12

About 2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole

2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole (PubChem CID 10625565) has the molecular formula C18H24Br2N8 and a molecular weight of 512.25 g/mol. Its IUPAC name is 2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole.

Molecular Properties

Compound Name2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole
PubChem CID10625565
Molecular FormulaC18H24Br2N8
Molecular Weight512.25 g/mol
Exact Mass510.05
IUPAC Name2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole
SMILESBrCCCCCn1nnc(-c2cccc(-c3nnn(CCCCCBr)n3)c2)n1
InChIInChI=1S/C18H24Br2N8/c19-10-3-1-5-12-27-23-17(21-25-27)15-8-7-9-16(14-15)18-22-26-28(24-18)13-6-2-4-11-20/h7-9,14H,1-6,10-13H2
InChIKeySPSGPGAWJQGYER-UHFFFAOYSA-N
XLogP4.12
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.25
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(8-bromooctyl)-5-[3-[2-(8-bromooctyl)tetrazol-5-yl]phenyl]tetrazole
CID 10698754
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CID 68945267
2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 132537677
N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
CID 62447153
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide
CID 177376609
2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide
CID 177376615
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792
4-[5-(4-phenylphenyl)tetrazol-2-yl]butanenitrile
CID 10755867
2-[5-(3-bromophenyl)tetrazol-2-yl]acetonitrile
CID 15984034
5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
CID 9397244

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole?
The IUPAC name of 2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole (CID 10625565) is 2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole.
What is the SMILES notation for 2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole?
The canonical SMILES for 2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole is BrCCCCCn1nnc(-c2cccc(-c3nnn(CCCCCBr)n3)c2)n1.
What is the InChIKey of 2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole?
The InChIKey is SPSGPGAWJQGYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Br2N8/c19-10-3-1-5-12-27-23-17(21-25-27)15-8-7-9-16(14-15)18-22-26-28(24-18)13-6-2-4-11-20/h7-9,14H,1-6,10-13H2.
What are the key properties of 2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole?
2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole has a molecular weight of 512.25 g/mol, XLogP of 4.12, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole is sourced from PubChem (CID 10625565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).