7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane

C9H13BrN4 — CID 145068521

IUPAC7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
SMILESCC.Cc1cc(Br)n2ncnc(N)c12
InChIInChI=1S/C7H7BrN4.C2H6/c1-4-2-5(8)12-6(4)7(9)10-3-11-12;1-2/h2-3H,1H3,(H2,9,10,11);1-2H3
InChIKeyLXOGCSIYOHWXME-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.41
Rot. Bonds

About 7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane

7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane (PubChem CID 145068521) has the molecular formula C9H13BrN4 and a molecular weight of 257.13 g/mol. Its IUPAC name is 7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane.

Molecular Properties

Compound Name7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
PubChem CID145068521
Molecular FormulaC9H13BrN4
Molecular Weight257.13 g/mol
Exact Mass256.03
IUPAC Name7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
SMILESCC.Cc1cc(Br)n2ncnc(N)c12
InChIInChI=1S/C7H7BrN4.C2H6/c1-4-2-5(8)12-6(4)7(9)10-3-11-12;1-2/h2-3H,1H3,(H2,9,10,11);1-2H3
InChIKeyLXOGCSIYOHWXME-UHFFFAOYSA-N
XLogP2.41
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?
The IUPAC name of 7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane (CID 145068521) is 7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane.
What is the SMILES notation for 7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?
The canonical SMILES for 7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane is CC.Cc1cc(Br)n2ncnc(N)c12.
What is the InChIKey of 7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?
The InChIKey is LXOGCSIYOHWXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4.C2H6/c1-4-2-5(8)12-6(4)7(9)10-3-11-12;1-2/h2-3H,1H3,(H2,9,10,11);1-2H3.
What are the key properties of 7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?
7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane has a molecular weight of 257.13 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane is sourced from PubChem (CID 145068521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).