5-(4-bromobutyl)-2-methyltetrazole

C6H11BrN4 — CID 107055081

IUPAC5-(4-bromobutyl)-2-methyltetrazole
SMILESCn1nnc(CCCCBr)n1
InChIInChI=1S/C6H11BrN4/c1-11-9-6(8-10-11)4-2-3-5-7/h2-5H2,1H3
InChIKeyDKSYWFDLAYDDMK-UHFFFAOYSA-N
MW219.09 g/mol
LogP0.93
Rot. Bonds4

About 5-(4-bromobutyl)-2-methyltetrazole

5-(4-bromobutyl)-2-methyltetrazole (PubChem CID 107055081) has the molecular formula C6H11BrN4 and a molecular weight of 219.09 g/mol. Its IUPAC name is 5-(4-bromobutyl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(4-bromobutyl)-2-methyltetrazole
PubChem CID107055081
Molecular FormulaC6H11BrN4
Molecular Weight219.09 g/mol
Exact Mass218.02
IUPAC Name5-(4-bromobutyl)-2-methyltetrazole
SMILESCn1nnc(CCCCBr)n1
InChIInChI=1S/C6H11BrN4/c1-11-9-6(8-10-11)4-2-3-5-7/h2-5H2,1H3
InChIKeyDKSYWFDLAYDDMK-UHFFFAOYSA-N
XLogP0.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-bromobutyl)-2-methyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butyl-2-methyltetrazole;ethane
CID 144800630
5-(4-chloropentyl)-2-methyltetrazole
CID 107055052
6-(2-methyltetrazol-5-yl)hexan-3-amine
CID 107054841
N,N-dimethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 910865
trimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium
CID 915091
4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine
CID 107054210
N-methyl-6-(2-methyltetrazol-5-yl)hexan-3-amine
CID 107054892
N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine
CID 107044605
3-(2-methyltetrazol-5-yl)propanoic acid
CID 22069179
2-methyl-N-[2-(2-methyltetrazol-5-yl)ethyl]propan-2-amine
CID 107049249
N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine
CID 107044611
5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole
CID 107058528

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromobutyl)-2-methyltetrazole?
The IUPAC name of 5-(4-bromobutyl)-2-methyltetrazole (CID 107055081) is 5-(4-bromobutyl)-2-methyltetrazole.
What is the SMILES notation for 5-(4-bromobutyl)-2-methyltetrazole?
The canonical SMILES for 5-(4-bromobutyl)-2-methyltetrazole is Cn1nnc(CCCCBr)n1.
What is the InChIKey of 5-(4-bromobutyl)-2-methyltetrazole?
The InChIKey is DKSYWFDLAYDDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrN4/c1-11-9-6(8-10-11)4-2-3-5-7/h2-5H2,1H3.
What are the key properties of 5-(4-bromobutyl)-2-methyltetrazole?
5-(4-bromobutyl)-2-methyltetrazole has a molecular weight of 219.09 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromobutyl)-2-methyltetrazole is sourced from PubChem (CID 107055081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).