5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C15H24N6 — CID 53322057

IUPAC5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)Nc1ncnn2ccc(CN3CCC(N)CC3)c12
InChIInChI=1S/C15H24N6/c1-11(2)19-15-14-12(3-8-21(14)18-10-17-15)9-20-6-4-13(16)5-7-20/h3,8,10-11,13H,4-7,9,16H2,1-2H3,(H,17,18,19)
InChIKeyFCECKWFNCCJSMZ-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.47
Rot. Bonds4

About 5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 53322057) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID53322057
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)Nc1ncnn2ccc(CN3CCC(N)CC3)c12
InChIInChI=1S/C15H24N6/c1-11(2)19-15-14-12(3-8-21(14)18-10-17-15)9-20-6-4-13(16)5-7-20/h3,8,10-11,13H,4-7,9,16H2,1-2H3,(H,17,18,19)
InChIKeyFCECKWFNCCJSMZ-UHFFFAOYSA-N
XLogP1.47
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 53322057) is 5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is CC(C)Nc1ncnn2ccc(CN3CCC(N)CC3)c12.
What is the InChIKey of 5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is FCECKWFNCCJSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-11(2)19-15-14-12(3-8-21(14)18-10-17-15)9-20-6-4-13(16)5-7-20/h3,8,10-11,13H,4-7,9,16H2,1-2H3,(H,17,18,19).
What are the key properties of 5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 288.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 53322057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).