4-(2-bromoethyl)-1-(4-methylpentyl)triazole

C10H18BrN3 — CID 83167910

IUPAC4-(2-bromoethyl)-1-(4-methylpentyl)triazole
SMILESCC(C)CCCn1cc(CCBr)nn1
InChIInChI=1S/C10H18BrN3/c1-9(2)4-3-7-14-8-10(5-6-11)12-13-14/h8-9H,3-7H2,1-2H3
InChIKeyMSZCQRBRHAHGQW-UHFFFAOYSA-N
MW260.18 g/mol
LogP2.65
Rot. Bonds6

About 4-(2-bromoethyl)-1-(4-methylpentyl)triazole

4-(2-bromoethyl)-1-(4-methylpentyl)triazole (PubChem CID 83167910) has the molecular formula C10H18BrN3 and a molecular weight of 260.18 g/mol. Its IUPAC name is 4-(2-bromoethyl)-1-(4-methylpentyl)triazole.

Molecular Properties

Compound Name4-(2-bromoethyl)-1-(4-methylpentyl)triazole
PubChem CID83167910
Molecular FormulaC10H18BrN3
Molecular Weight260.18 g/mol
Exact Mass259.07
IUPAC Name4-(2-bromoethyl)-1-(4-methylpentyl)triazole
SMILESCC(C)CCCn1cc(CCBr)nn1
InChIInChI=1S/C10H18BrN3/c1-9(2)4-3-7-14-8-10(5-6-11)12-13-14/h8-9H,3-7H2,1-2H3
InChIKeyMSZCQRBRHAHGQW-UHFFFAOYSA-N
XLogP2.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-(4-methoxybutyl)-1-(4-methylpentyl)triazole
CID 155739820
1-[1-(4-methylpentyl)triazol-4-yl]propane-2-thiol
CID 178008150
1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole
CID 155405262
4-(2-bromoethyl)-1-(2-methylpropyl)triazole
CID 62395497
4-(2-bromoethyl)-1-(3-fluoropropyl)triazole
CID 81113923
1-heptyl-4-(3-methylbutyl)triazole
CID 68683945
1-(3-methylbutyl)-4-propyltriazole
CID 68679793
4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole
CID 171725797
4-(4-methylpentyl)-1-[(E)-pent-3-enyl]triazole
CID 130446232
4-(2-bromoethyl)-1-[3-(3,5-dimethylphenoxy)propyl]triazole
CID 62394415
4-(2-bromoethyl)-1-(2-ethylbutyl)triazole
CID 82930539
1,4-bis(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(8-methylnonyl)triazole;bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole);bis(1-(7-methyloctyl)-5-(4-methylpentyl)triazole)
CID 157306003

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-1-(4-methylpentyl)triazole?
The IUPAC name of 4-(2-bromoethyl)-1-(4-methylpentyl)triazole (CID 83167910) is 4-(2-bromoethyl)-1-(4-methylpentyl)triazole.
What is the SMILES notation for 4-(2-bromoethyl)-1-(4-methylpentyl)triazole?
The canonical SMILES for 4-(2-bromoethyl)-1-(4-methylpentyl)triazole is CC(C)CCCn1cc(CCBr)nn1.
What is the InChIKey of 4-(2-bromoethyl)-1-(4-methylpentyl)triazole?
The InChIKey is MSZCQRBRHAHGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3/c1-9(2)4-3-7-14-8-10(5-6-11)12-13-14/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(2-bromoethyl)-1-(4-methylpentyl)triazole?
4-(2-bromoethyl)-1-(4-methylpentyl)triazole has a molecular weight of 260.18 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-1-(4-methylpentyl)triazole is sourced from PubChem (CID 83167910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).