3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide

C11H19N7O — CID 80787749

IUPAC3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide
SMILESNC(=O)CCNc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C11H19N7O/c12-8(19)4-5-14-10-15-9(13)16-11(17-10)18-6-2-1-3-7-18/h1-7H2,(H2,12,19)(H3,13,14,15,16,17)
InChIKeyWROOAZTUVGGTIA-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.27
Rot. Bonds5

About 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide

3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide (PubChem CID 80787749) has the molecular formula C11H19N7O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide
PubChem CID80787749
Molecular FormulaC11H19N7O
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide
SMILESNC(=O)CCNc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C11H19N7O/c12-8(19)4-5-14-10-15-9(13)16-11(17-10)18-6-2-1-3-7-18/h1-7H2,(H2,12,19)(H3,13,14,15,16,17)
InChIKeyWROOAZTUVGGTIA-UHFFFAOYSA-N
XLogP-0.27
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide?
The IUPAC name of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide (CID 80787749) is 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide?
The canonical SMILES for 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide is NC(=O)CCNc1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide?
The InChIKey is WROOAZTUVGGTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O/c12-8(19)4-5-14-10-15-9(13)16-11(17-10)18-6-2-1-3-7-18/h1-7H2,(H2,12,19)(H3,13,14,15,16,17).
What are the key properties of 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide?
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide has a molecular weight of 265.32 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanamide is sourced from PubChem (CID 80787749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).