5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole

C11H12BrN3 — CID 166934681

IUPAC5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1ncnc1-c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3/c1-8(2)15-11(13-7-14-15)9-3-5-10(12)6-4-9/h3-8H,1-2H3
InChIKeyMQGBMIAECAMYOF-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.29
Rot. Bonds2

About 5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole

5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole (PubChem CID 166934681) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole
PubChem CID166934681
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1ncnc1-c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3/c1-8(2)15-11(13-7-14-15)9-3-5-10(12)6-4-9/h3-8H,1-2H3
InChIKeyMQGBMIAECAMYOF-UHFFFAOYSA-N
XLogP3.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole (CID 166934681) is 5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole is CC(C)n1ncnc1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole?
The InChIKey is MQGBMIAECAMYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8(2)15-11(13-7-14-15)9-3-5-10(12)6-4-9/h3-8H,1-2H3.
What are the key properties of 5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole?
5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole has a molecular weight of 266.14 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 166934681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).