3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C11H10BrN3 — CID 3307173

IUPAC3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESBrc1ccc(-c2nnc3n2CCC3)cc1
InChIInChI=1S/C11H10BrN3/c12-9-5-3-8(4-6-9)11-14-13-10-2-1-7-15(10)11/h3-6H,1-2,7H2
InChIKeyJJCHZQWLFVSWKQ-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.65
Rot. Bonds1

About 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 3307173) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID3307173
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESBrc1ccc(-c2nnc3n2CCC3)cc1
InChIInChI=1S/C11H10BrN3/c12-9-5-3-8(4-6-9)11-14-13-10-2-1-7-15(10)11/h3-6H,1-2,7H2
InChIKeyJJCHZQWLFVSWKQ-UHFFFAOYSA-N
XLogP2.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 3307173) is 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is Brc1ccc(-c2nnc3n2CCC3)cc1.
What is the InChIKey of 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is JJCHZQWLFVSWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c12-9-5-3-8(4-6-9)11-14-13-10-2-1-7-15(10)11/h3-6H,1-2,7H2.
What are the key properties of 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 264.13 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 3307173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).