5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C8H8Br2N4O — CID 154663448

IUPAC5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOCc1c(Br)c2c(N)ncnn2c1Br
InChIInChI=1S/C8H8Br2N4O/c1-15-2-4-5(9)6-8(11)12-3-13-14(6)7(4)10/h3H,2H2,1H3,(H2,11,12,13)
InChIKeyGTTHLTMGGDERPU-UHFFFAOYSA-N
MW335.99 g/mol
LogP1.98
Rot. Bonds2

About 5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 154663448) has the molecular formula C8H8Br2N4O and a molecular weight of 335.99 g/mol. Its IUPAC name is 5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID154663448
Molecular FormulaC8H8Br2N4O
Molecular Weight335.99 g/mol
Exact Mass333.91
IUPAC Name5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOCc1c(Br)c2c(N)ncnn2c1Br
InChIInChI=1S/C8H8Br2N4O/c1-15-2-4-5(9)6-8(11)12-3-13-14(6)7(4)10/h3H,2H2,1H3,(H2,11,12,13)
InChIKeyGTTHLTMGGDERPU-UHFFFAOYSA-N
XLogP1.98
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.99
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-ethyl-7-methylimidazo[5,1-f][1,2,4]triazin-4-amine
CID 89393083
6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 171535817
5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 163376472
5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 139349201
7-bromo-5-[(3,3-dimethylazetidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 155252396
(1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 124674969
5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178092801
7-bromo-5-(piperidin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 155252882
5-bromo-3-(methoxymethyl)pyridin-2-amine
CID 84682381
7-bromoimidazo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 145368007

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 154663448) is 5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COCc1c(Br)c2c(N)ncnn2c1Br.
What is the InChIKey of 5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is GTTHLTMGGDERPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N4O/c1-15-2-4-5(9)6-8(11)12-3-13-14(6)7(4)10/h3H,2H2,1H3,(H2,11,12,13).
What are the key properties of 5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 335.99 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 154663448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).