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

C11H10BrN3 — CID 680765

IUPAC3-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESBrc1cccc(-c2nnc3n2CCC3)c1
InChIInChI=1S/C11H10BrN3/c12-9-4-1-3-8(7-9)11-14-13-10-5-2-6-15(10)11/h1,3-4,7H,2,5-6H2
InChIKeyFTHBQJLNXRACEW-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.65
Rot. Bonds1

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

3-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 680765) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 3-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID680765
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name3-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESBrc1cccc(-c2nnc3n2CCC3)c1
InChIInChI=1S/C11H10BrN3/c12-9-4-1-3-8(7-9)11-14-13-10-5-2-6-15(10)11/h1,3-4,7H,2,5-6H2
InChIKeyFTHBQJLNXRACEW-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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Related Compounds

3-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 658120
3-(4-bromophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 745476
3-(4-bromophenyl)-4-methyl-4H-1,2,4-triazole
CID 79014882
3-(2-bromophenyl)-4-methyl-4H-1,2,4-triazole
CID 26316547
3-(4-Bromophenyl)-1-ethyl-5-phenyl-1,2,4-triazole
CID 155541483
3-(2-bromophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 11335309
5H-Pyrrolo(2,1-c)-1,2,4-triazole, 6,7-dihydro-3-phenyl-
CID 3060514
3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 3307173
3-(3-bromo-4-methylphenyl)-4-methyl-4H-1,2,4-triazole
CID 115395408
5,12-Bis(4-bromophenyl)-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 16736652
3-(4-Bromophenyl)-6-methylene-5,6-dihydrothiazolo[2,3-c][1,2,4]triazole
CID 5115335
2-(4-bromophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine
CID 44725162

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 680765) is 3-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is Brc1cccc(-c2nnc3n2CCC3)c1.
What is the InChIKey of 3-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is FTHBQJLNXRACEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c12-9-4-1-3-8(7-9)11-14-13-10-5-2-6-15(10)11/h1,3-4,7H,2,5-6H2.
What are the key properties of 3-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-(3-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-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 680765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).