4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine

C9H12BrN5S — CID 106387339

IUPAC4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1-c1ccc(Br)s1
InChIInChI=1S/C9H12BrN5S/c10-8-4-3-7(16-8)9-12-13-14-15(9)6-2-1-5-11/h3-4H,1-2,5-6,11H2
InChIKeyFEDYNWQNIKVHIR-UHFFFAOYSA-N
MW302.20 g/mol
LogP1.90
Rot. Bonds5

About 4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine

4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine (PubChem CID 106387339) has the molecular formula C9H12BrN5S and a molecular weight of 302.20 g/mol. Its IUPAC name is 4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine
PubChem CID106387339
Molecular FormulaC9H12BrN5S
Molecular Weight302.20 g/mol
Exact Mass301.00
IUPAC Name4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1-c1ccc(Br)s1
InChIInChI=1S/C9H12BrN5S/c10-8-4-3-7(16-8)9-12-13-14-15(9)6-2-1-5-11/h3-4H,1-2,5-6,11H2
InChIKeyFEDYNWQNIKVHIR-UHFFFAOYSA-N
XLogP1.90
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971
4-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 106387203
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985
4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine
CID 106387289
4-[5-(4-ethylsulfanylphenyl)tetrazol-1-yl]butan-1-amine
CID 106387360
4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 114182243
3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 106387254
3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine
CID 61373336
4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 114182237
4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182232
4-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84758956

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine (CID 106387339) is 4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine is NCCCCn1nnnc1-c1ccc(Br)s1.
What is the InChIKey of 4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine?
The InChIKey is FEDYNWQNIKVHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN5S/c10-8-4-3-7(16-8)9-12-13-14-15(9)6-2-1-5-11/h3-4H,1-2,5-6,11H2.
What are the key properties of 4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine?
4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine has a molecular weight of 302.20 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 106387339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).