6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C13H9BrN6 — CID 166397780

IUPAC6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESBrc1cc2c(Nc3ccc4[nH]ncc4c3)ncnn2c1
InChIInChI=1S/C13H9BrN6/c14-9-4-12-13(15-7-17-20(12)6-9)18-10-1-2-11-8(3-10)5-16-19-11/h1-7H,(H,16,19)(H,15,17,18)
InChIKeyNAWUVIGSPCLTQF-UHFFFAOYSA-N
MW329.16 g/mol
LogP3.11
Rot. Bonds2

About 6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 166397780) has the molecular formula C13H9BrN6 and a molecular weight of 329.16 g/mol. Its IUPAC name is 6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID166397780
Molecular FormulaC13H9BrN6
Molecular Weight329.16 g/mol
Exact Mass328.01
IUPAC Name6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESBrc1cc2c(Nc3ccc4[nH]ncc4c3)ncnn2c1
InChIInChI=1S/C13H9BrN6/c14-9-4-12-13(15-7-17-20(12)6-9)18-10-1-2-11-8(3-10)5-16-19-11/h1-7H,(H,16,19)(H,15,17,18)
InChIKeyNAWUVIGSPCLTQF-UHFFFAOYSA-N
XLogP3.11
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 166397780) is 6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Brc1cc2c(Nc3ccc4[nH]ncc4c3)ncnn2c1.
What is the InChIKey of 6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is NAWUVIGSPCLTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN6/c14-9-4-12-13(15-7-17-20(12)6-9)18-10-1-2-11-8(3-10)5-16-19-11/h1-7H,(H,16,19)(H,15,17,18).
What are the key properties of 6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 329.16 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1H-indazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 166397780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).