2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C13H13N9 — CID 166825326

IUPAC2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCc1cnn2c(N)nc(-c3cc4c(N)ncnn4c3C)nc12
InChIInChI=1S/C13H13N9/c1-6-4-17-22-12(6)19-11(20-13(22)15)8-3-9-10(14)16-5-18-21(9)7(8)2/h3-5H,1-2H3,(H2,14,16,18)(H2,15,19,20)
InChIKeyNMIGGLGFBJAFTJ-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.62
Rot. Bonds1

About 2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine

2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 166825326) has the molecular formula C13H13N9 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID166825326
Molecular FormulaC13H13N9
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCc1cnn2c(N)nc(-c3cc4c(N)ncnn4c3C)nc12
InChIInChI=1S/C13H13N9/c1-6-4-17-22-12(6)19-11(20-13(22)15)8-3-9-10(14)16-5-18-21(9)7(8)2/h3-5H,1-2H3,(H2,14,16,18)(H2,15,19,20)
InChIKeyNMIGGLGFBJAFTJ-UHFFFAOYSA-N
XLogP0.62
TPSA125.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 166825326) is 2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine is Cc1cnn2c(N)nc(-c3cc4c(N)ncnn4c3C)nc12.
What is the InChIKey of 2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is NMIGGLGFBJAFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N9/c1-6-4-17-22-12(6)19-11(20-13(22)15)8-3-9-10(14)16-5-18-21(9)7(8)2/h3-5H,1-2H3,(H2,14,16,18)(H2,15,19,20).
What are the key properties of 2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 295.31 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)-8-methylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 166825326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).