3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole

C11H18BrN3 — CID 161400720

IUPAC3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1nc(Br)nc1CCC1CC1
InChIInChI=1S/C11H18BrN3/c1-8(2)7-15-10(13-11(12)14-15)6-5-9-3-4-9/h8-9H,3-7H2,1-2H3
InChIKeyVUEWBKLZIGPJOU-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.04
Rot. Bonds5

About 3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole

3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole (PubChem CID 161400720) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole
PubChem CID161400720
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1nc(Br)nc1CCC1CC1
InChIInChI=1S/C11H18BrN3/c1-8(2)7-15-10(13-11(12)14-15)6-5-9-3-4-9/h8-9H,3-7H2,1-2H3
InChIKeyVUEWBKLZIGPJOU-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-cyclopropyl-1-methyl-1H-1,2,4-triazole
CID 84035176
5-bromo-3-cyclobutyl-1-methyl-1H-1,2,4-triazole
CID 84036935
5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1H-1,2,4-triazole
CID 131941557
3-(1,1-Difluoropentyl)-1-methyl-5-(2-methylpropyl)-1,2,4-triazole
CID 57280410
5-Bromo-3-tert-butyl-1-[(2-fluorospiro[2.3]hexan-5-yl)methyl]-1,2,4-triazole
CID 167961689
1-[3-(3-cyclopropyl-1-propyl-1H-1,2,4-triazol-5-yl)propyl]azepane
CID 72875383
3-Cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole
CID 18989691
5-Cyclohexyl-1-hexyl-3-methyl-1,2,4-triazole
CID 53688868
1,5-Dihexyl-3-methyl-1,2,4-triazole
CID 53953621
3-Cyclopropyl-1,5-di(propan-2-yl)-1,2,4-triazole
CID 58204445
3-Tert-butyl-5-cyclopropyl-1-methyl-1,2,4-triazole
CID 59539705
1-Methyl-3,5-dipentyl-1,2,4-triazole
CID 67869376

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole (CID 161400720) is 3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole is CC(C)Cn1nc(Br)nc1CCC1CC1.
What is the InChIKey of 3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole?
The InChIKey is VUEWBKLZIGPJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8(2)7-15-10(13-11(12)14-15)6-5-9-3-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole?
3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole has a molecular weight of 272.19 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-cyclopropylethyl)-1-(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 161400720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).