5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C11H16N6 — CID 22390483

IUPAC5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2ccc(CN3CCNCC3)c12
InChIInChI=1S/C11H16N6/c12-11-10-9(1-4-17(10)15-8-14-11)7-16-5-2-13-3-6-16/h1,4,8,13H,2-3,5-7H2,(H2,12,14,15)
InChIKeyTXTKNABAWXAYEN-UHFFFAOYSA-N
MW232.29 g/mol
LogP-0.28
Rot. Bonds2

About 5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 22390483) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID22390483
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2ccc(CN3CCNCC3)c12
InChIInChI=1S/C11H16N6/c12-11-10-9(1-4-17(10)15-8-14-11)7-16-5-2-13-3-6-16/h1,4,8,13H,2-3,5-7H2,(H2,12,14,15)
InChIKeyTXTKNABAWXAYEN-UHFFFAOYSA-N
XLogP-0.28
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 22390483) is 5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2ccc(CN3CCNCC3)c12.
What is the InChIKey of 5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is TXTKNABAWXAYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c12-11-10-9(1-4-17(10)15-8-14-11)7-16-5-2-13-3-6-16/h1,4,8,13H,2-3,5-7H2,(H2,12,14,15).
What are the key properties of 5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 232.29 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 22390483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).