6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine

C6H4BrClN4 — CID 166982820

IUPAC6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2cc(Br)c(Cl)c12
InChIInChI=1S/C6H4BrClN4/c7-3-1-12-5(4(3)8)6(9)10-2-11-12/h1-2H,(H2,9,10,11)
InChIKeyLRXPZKBBPSMFMR-UHFFFAOYSA-N
MW247.48 g/mol
LogP1.73
Rot. Bonds

About 6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine

6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 166982820) has the molecular formula C6H4BrClN4 and a molecular weight of 247.48 g/mol. Its IUPAC name is 6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID166982820
Molecular FormulaC6H4BrClN4
Molecular Weight247.48 g/mol
Exact Mass245.93
IUPAC Name6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2cc(Br)c(Cl)c12
InChIInChI=1S/C6H4BrClN4/c7-3-1-12-5(4(3)8)6(9)10-2-11-12/h1-2H,(H2,9,10,11)
InChIKeyLRXPZKBBPSMFMR-UHFFFAOYSA-N
XLogP1.73
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 163376472
4-amino-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile
CID 68717514
(1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 124674969
5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 177177894
7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 145068521
7-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;deuterio(fluoro)methane
CID 161436110
6-bromo-7-fluoro-[1,2,4]triazolo[1,5-a]pyridine
CID 131677042
5-bromo-3,4-dichloropyridin-2-amine
CID 90112572
4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 130362883
5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130447864
1-[4-(4-amino-6-ethylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-3-(4-propan-2-ylphenyl)urea
CID 174524934
6,8-dibromo-7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 129050183

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 166982820) is 6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2cc(Br)c(Cl)c12.
What is the InChIKey of 6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is LRXPZKBBPSMFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClN4/c7-3-1-12-5(4(3)8)6(9)10-2-11-12/h1-2H,(H2,9,10,11).
What are the key properties of 6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 247.48 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 166982820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).