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

C7H7BrN4 — CID 163376472

IUPAC5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cn2ncnc(N)c2c1Br
InChIInChI=1S/C7H7BrN4/c1-4-2-12-6(5(4)8)7(9)10-3-11-12/h2-3H,1H3,(H2,9,10,11)
InChIKeyGJUIIGWSDOQFNP-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.38
Rot. Bonds

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

5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 163376472) has the molecular formula C7H7BrN4 and a molecular weight of 227.06 g/mol. Its IUPAC name is 5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID163376472
Molecular FormulaC7H7BrN4
Molecular Weight227.06 g/mol
Exact Mass225.99
IUPAC Name5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cn2ncnc(N)c2c1Br
InChIInChI=1S/C7H7BrN4/c1-4-2-12-6(5(4)8)7(9)10-3-11-12/h2-3H,1H3,(H2,9,10,11)
InChIKeyGJUIIGWSDOQFNP-UHFFFAOYSA-N
XLogP1.38
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 166982820
7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 145068521
6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 171535817
5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178092801
8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 164553586
5-bromo-6-methylpyrimidin-4-amine
CID 604534
5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 154663448
5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 164943142
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
7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 164876385
5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane
CID 90868321

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 163376472) is 5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cn2ncnc(N)c2c1Br.
What is the InChIKey of 5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is GJUIIGWSDOQFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4/c1-4-2-12-6(5(4)8)7(9)10-3-11-12/h2-3H,1H3,(H2,9,10,11).
What are the key properties of 5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 227.06 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 163376472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).