5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole

C15H10BrN5 — CID 44553765

IUPAC5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole
SMILESBrc1ccc2[nH]c(-c3ccc(-n4cncn4)nc3)cc2c1
InChIInChI=1S/C15H10BrN5/c16-12-2-3-13-11(5-12)6-14(20-13)10-1-4-15(18-7-10)21-9-17-8-19-21/h1-9,20H
InChIKeyYLDCOHQTCBNODE-UHFFFAOYSA-N
MW340.18 g/mol
LogP3.57
Rot. Bonds2

About 5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole

5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole (PubChem CID 44553765) has the molecular formula C15H10BrN5 and a molecular weight of 340.18 g/mol. Its IUPAC name is 5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole
PubChem CID44553765
Molecular FormulaC15H10BrN5
Molecular Weight340.18 g/mol
Exact Mass339.01
IUPAC Name5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole
SMILESBrc1ccc2[nH]c(-c3ccc(-n4cncn4)nc3)cc2c1
InChIInChI=1S/C15H10BrN5/c16-12-2-3-13-11(5-12)6-14(20-13)10-1-4-15(18-7-10)21-9-17-8-19-21/h1-9,20H
InChIKeyYLDCOHQTCBNODE-UHFFFAOYSA-N
XLogP3.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole?
The IUPAC name of 5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole (CID 44553765) is 5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole.
What is the SMILES notation for 5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole?
The canonical SMILES for 5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole is Brc1ccc2[nH]c(-c3ccc(-n4cncn4)nc3)cc2c1.
What is the InChIKey of 5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole?
The InChIKey is YLDCOHQTCBNODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN5/c16-12-2-3-13-11(5-12)6-14(20-13)10-1-4-15(18-7-10)21-9-17-8-19-21/h1-9,20H.
What are the key properties of 5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole?
5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole has a molecular weight of 340.18 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole is sourced from PubChem (CID 44553765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).