1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine

C8H15BrN6 — CID 80673100

IUPAC1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine
SMILESCn1nnnc1N1CCN(CCBr)CC1
InChIInChI=1S/C8H15BrN6/c1-13-8(10-11-12-13)15-6-4-14(3-2-9)5-7-15/h2-7H2,1H3
InChIKeyYOMWEISZUZJBNT-UHFFFAOYSA-N
MW275.15 g/mol
LogP-0.27
Rot. Bonds3

About 1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine

1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine (PubChem CID 80673100) has the molecular formula C8H15BrN6 and a molecular weight of 275.15 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine
PubChem CID80673100
Molecular FormulaC8H15BrN6
Molecular Weight275.15 g/mol
Exact Mass274.05
IUPAC Name1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine
SMILESCn1nnnc1N1CCN(CCBr)CC1
InChIInChI=1S/C8H15BrN6/c1-13-8(10-11-12-13)15-6-4-14(3-2-9)5-7-15/h2-7H2,1H3
InChIKeyYOMWEISZUZJBNT-UHFFFAOYSA-N
XLogP-0.27
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine?
The IUPAC name of 1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine (CID 80673100) is 1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine is Cn1nnnc1N1CCN(CCBr)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine?
The InChIKey is YOMWEISZUZJBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN6/c1-13-8(10-11-12-13)15-6-4-14(3-2-9)5-7-15/h2-7H2,1H3.
What are the key properties of 1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine?
1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine has a molecular weight of 275.15 g/mol, XLogP of -0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-(1-methyltetrazol-5-yl)piperazine is sourced from PubChem (CID 80673100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).