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

C10H9BrN4 — CID 140925336

IUPAC3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESBrc1cccc(-c2nnc3n2CCC3)n1
InChIInChI=1S/C10H9BrN4/c11-8-4-1-3-7(12-8)10-14-13-9-5-2-6-15(9)10/h1,3-4H,2,5-6H2
InChIKeyJXUTTWYNVUSTNG-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.05
Rot. Bonds1

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

3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 140925336) has the molecular formula C10H9BrN4 and a molecular weight of 265.11 g/mol. Its IUPAC name is 3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID140925336
Molecular FormulaC10H9BrN4
Molecular Weight265.11 g/mol
Exact Mass264.00
IUPAC Name3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESBrc1cccc(-c2nnc3n2CCC3)n1
InChIInChI=1S/C10H9BrN4/c11-8-4-1-3-7(12-8)10-14-13-9-5-2-6-15(9)10/h1,3-4H,2,5-6H2
InChIKeyJXUTTWYNVUSTNG-UHFFFAOYSA-N
XLogP2.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole with MolForge

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Related Compounds

2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 135351024
3-pyridazin-3-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 166389586
3-naphthalen-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 140603851
3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
CID 67452805
3-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117149032
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-methylaniline
CID 43142774
4-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]benzenesulfonamide
CID 24663006
2-[[5-(6-bromo-2-pyridinyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one
CID 167495061
7-N-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-2-N-ethyl-6-fluoro-3,4-dihydro-1H-isoquinoline-2,7-dicarboxamide
CID 155157955
2-amino-1-(6-amino-2-pyridinyl)ethanone;cyclohexanethione;cyclohexanone;6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-2-amine
CID 160537107
3-(1-methylpyrrol-2-yl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 139021513
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyrazin-2-amine
CID 63260335

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 140925336) is 3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is Brc1cccc(-c2nnc3n2CCC3)n1.
What is the InChIKey of 3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is JXUTTWYNVUSTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4/c11-8-4-1-3-7(12-8)10-14-13-9-5-2-6-15(9)10/h1,3-4H,2,5-6H2.
What are the key properties of 3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 265.11 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 140925336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).