5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole

C12H13BrN4 — CID 107052420

IUPAC5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole
SMILESCn1nnc(CC2Cc3ccccc3C2Br)n1
InChIInChI=1S/C12H13BrN4/c1-17-15-11(14-16-17)7-9-6-8-4-2-3-5-10(8)12(9)13/h2-5,9,12H,6-7H2,1H3
InChIKeyGEBJTZDXGWUQJJ-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.06
Rot. Bonds2

About 5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole

5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole (PubChem CID 107052420) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole
PubChem CID107052420
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole
SMILESCn1nnc(CC2Cc3ccccc3C2Br)n1
InChIInChI=1S/C12H13BrN4/c1-17-15-11(14-16-17)7-9-6-8-4-2-3-5-10(8)12(9)13/h2-5,9,12H,6-7H2,1H3
InChIKeyGEBJTZDXGWUQJJ-UHFFFAOYSA-N
XLogP2.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-1-bromo-2,3-dihydro-1H-indene
CID 63470495
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047094
5-[2-(1-bromo-2,3-dihydro-1H-inden-2-yl)ethyl]-1-methylpyrazole
CID 103013921
1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55192638
1-bromo-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55192449
2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine
CID 107044693
2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-ol
CID 107052325
N-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107042348
1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 63471642
(1S)-1-bromo-2,3-dihydro-1H-inden-2-amine
CID 142687946
2-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 107044914
2-(2-methyltetrazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 107049596

Frequently Asked Questions

What is the IUPAC name of 5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole?
The IUPAC name of 5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole (CID 107052420) is 5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole.
What is the SMILES notation for 5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole?
The canonical SMILES for 5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole is Cn1nnc(CC2Cc3ccccc3C2Br)n1.
What is the InChIKey of 5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole?
The InChIKey is GEBJTZDXGWUQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-17-15-11(14-16-17)7-9-6-8-4-2-3-5-10(8)12(9)13/h2-5,9,12H,6-7H2,1H3.
What are the key properties of 5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole?
5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole has a molecular weight of 293.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-bromo-2,3-dihydro-1H-inden-2-yl)methyl]-2-methyltetrazole is sourced from PubChem (CID 107052420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).