5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole

C8H14BrN5 — CID 107054129

IUPAC5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole
SMILESCn1nnc(CN2CCC(CBr)C2)n1
InChIInChI=1S/C8H14BrN5/c1-13-11-8(10-12-13)6-14-3-2-7(4-9)5-14/h7H,2-6H2,1H3
InChIKeyAXLWIVPLGUBVNF-UHFFFAOYSA-N
MW260.14 g/mol
LogP0.43
Rot. Bonds3

About 5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole

5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole (PubChem CID 107054129) has the molecular formula C8H14BrN5 and a molecular weight of 260.14 g/mol. Its IUPAC name is 5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole
PubChem CID107054129
Molecular FormulaC8H14BrN5
Molecular Weight260.14 g/mol
Exact Mass259.04
IUPAC Name5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole
SMILESCn1nnc(CN2CCC(CBr)C2)n1
InChIInChI=1S/C8H14BrN5/c1-13-11-8(10-12-13)6-14-3-2-7(4-9)5-14/h7H,2-6H2,1H3
InChIKeyAXLWIVPLGUBVNF-UHFFFAOYSA-N
XLogP0.43
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 107044977
4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine
CID 107054238
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 107045335
1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 107052605
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056207
1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile
CID 107042907
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1-methyl-1,2,4-triazole
CID 80691588
3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043040
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 80690615
N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 107043401
3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine
CID 107055316
1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043012

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole?
The IUPAC name of 5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole (CID 107054129) is 5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole.
What is the SMILES notation for 5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole?
The canonical SMILES for 5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole is Cn1nnc(CN2CCC(CBr)C2)n1.
What is the InChIKey of 5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole?
The InChIKey is AXLWIVPLGUBVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN5/c1-13-11-8(10-12-13)6-14-3-2-7(4-9)5-14/h7H,2-6H2,1H3.
What are the key properties of 5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole?
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole has a molecular weight of 260.14 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole is sourced from PubChem (CID 107054129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).