4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole

C10H16BrN3 — CID 130592251

IUPAC4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole
SMILESCC1C(Br)CCC1Cc1cnn(C)n1
InChIInChI=1S/C10H16BrN3/c1-7-8(3-4-10(7)11)5-9-6-12-14(2)13-9/h6-8,10H,3-5H2,1-2H3
InChIKeyBGPKEQUQYQIWID-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.17
Rot. Bonds2

About 4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole

4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole (PubChem CID 130592251) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole.

Molecular Properties

Compound Name4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole
PubChem CID130592251
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole
SMILESCC1C(Br)CCC1Cc1cnn(C)n1
InChIInChI=1S/C10H16BrN3/c1-7-8(3-4-10(7)11)5-9-6-12-14(2)13-9/h6-8,10H,3-5H2,1-2H3
InChIKeyBGPKEQUQYQIWID-UHFFFAOYSA-N
XLogP2.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole?
The IUPAC name of 4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole (CID 130592251) is 4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole.
What is the SMILES notation for 4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole?
The canonical SMILES for 4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole is CC1C(Br)CCC1Cc1cnn(C)n1.
What is the InChIKey of 4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole?
The InChIKey is BGPKEQUQYQIWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-7-8(3-4-10(7)11)5-9-6-12-14(2)13-9/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole?
4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole has a molecular weight of 258.16 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-methylcyclopentyl)methyl]-2-methyltriazole is sourced from PubChem (CID 130592251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).