6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C21H22N8 — CID 118711866

IUPAC6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCN1CCN(c2ccc(-c3cc4c(Nc5ccncc5)ncnn4c3)cn2)CC1
InChIInChI=1S/C21H22N8/c1-27-8-10-28(11-9-27)20-3-2-16(13-23-20)17-12-19-21(24-15-25-29(19)14-17)26-18-4-6-22-7-5-18/h2-7,12-15H,8-11H2,1H3,(H,22,24,25,26)
InChIKeyPUKKKTSQFKUDAG-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.68
Rot. Bonds4

About 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 118711866) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID118711866
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCN1CCN(c2ccc(-c3cc4c(Nc5ccncc5)ncnn4c3)cn2)CC1
InChIInChI=1S/C21H22N8/c1-27-8-10-28(11-9-27)20-3-2-16(13-23-20)17-12-19-21(24-15-25-29(19)14-17)26-18-4-6-22-7-5-18/h2-7,12-15H,8-11H2,1H3,(H,22,24,25,26)
InChIKeyPUKKKTSQFKUDAG-UHFFFAOYSA-N
XLogP2.68
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 118711866) is 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is CN1CCN(c2ccc(-c3cc4c(Nc5ccncc5)ncnn4c3)cn2)CC1.
What is the InChIKey of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is PUKKKTSQFKUDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-27-8-10-28(11-9-27)20-3-2-16(13-23-20)17-12-19-21(24-15-25-29(19)14-17)26-18-4-6-22-7-5-18/h2-7,12-15H,8-11H2,1H3,(H,22,24,25,26).
What are the key properties of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 386.46 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 118711866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).