6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine

C6H2BrCl2N3 — CID 122170246

IUPAC6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine
SMILESClc1nc(Cl)c2cc(Br)cn2n1
InChIInChI=1S/C6H2BrCl2N3/c7-3-1-4-5(8)10-6(9)11-12(4)2-3/h1-2H
InChIKeyNRVGOQKEQWXMOO-UHFFFAOYSA-N
MW266.91 g/mol
LogP2.80
Rot. Bonds

About 6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine

6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine (PubChem CID 122170246) has the molecular formula C6H2BrCl2N3 and a molecular weight of 266.91 g/mol. Its IUPAC name is 6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine
PubChem CID122170246
Molecular FormulaC6H2BrCl2N3
Molecular Weight266.91 g/mol
Exact Mass264.88
IUPAC Name6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine
SMILESClc1nc(Cl)c2cc(Br)cn2n1
InChIInChI=1S/C6H2BrCl2N3/c7-3-1-4-5(8)10-6(9)11-12(4)2-3/h1-2H
InChIKeyNRVGOQKEQWXMOO-UHFFFAOYSA-N
XLogP2.80
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.91
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine (CID 122170246) is 6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine is Clc1nc(Cl)c2cc(Br)cn2n1.
What is the InChIKey of 6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is NRVGOQKEQWXMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2N3/c7-3-1-4-5(8)10-6(9)11-12(4)2-3/h1-2H.
What are the key properties of 6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine?
6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 266.91 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-dichloropyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 122170246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).