5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole

C10H17BrN4 — CID 107055097

IUPAC5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole
SMILESCn1nnc(CC2CCCCC(Br)C2)n1
InChIInChI=1S/C10H17BrN4/c1-15-13-10(12-14-15)7-8-4-2-3-5-9(11)6-8/h8-9H,2-7H2,1H3
InChIKeyBBMUXPNXWMQFRI-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.10
Rot. Bonds2

About 5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole

5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole (PubChem CID 107055097) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is 5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole
PubChem CID107055097
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole
SMILESCn1nnc(CC2CCCCC(Br)C2)n1
InChIInChI=1S/C10H17BrN4/c1-15-13-10(12-14-15)7-8-4-2-3-5-9(11)6-8/h8-9H,2-7H2,1H3
InChIKeyBBMUXPNXWMQFRI-UHFFFAOYSA-N
XLogP2.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(3-bromocycloheptyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole?
The IUPAC name of 5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole (CID 107055097) is 5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole.
What is the SMILES notation for 5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole?
The canonical SMILES for 5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole is Cn1nnc(CC2CCCCC(Br)C2)n1.
What is the InChIKey of 5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole?
The InChIKey is BBMUXPNXWMQFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-15-13-10(12-14-15)7-8-4-2-3-5-9(11)6-8/h8-9H,2-7H2,1H3.
What are the key properties of 5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole?
5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole has a molecular weight of 273.18 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromocycloheptyl)methyl]-2-methyltetrazole is sourced from PubChem (CID 107055097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).