1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol

C11H20N6O — CID 113234360

IUPAC1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2nc(N)nc(N)n2)CC1
InChIInChI=1S/C11H20N6O/c1-7(18)8-2-4-17(5-3-8)6-9-14-10(12)16-11(13)15-9/h7-8,18H,2-6H2,1H3,(H4,12,13,14,15,16)
InChIKeyIIMWZMGAYFJQGB-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.37
Rot. Bonds3

About 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol

1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol (PubChem CID 113234360) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol
PubChem CID113234360
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2nc(N)nc(N)n2)CC1
InChIInChI=1S/C11H20N6O/c1-7(18)8-2-4-17(5-3-8)6-9-14-10(12)16-11(13)15-9/h7-8,18H,2-6H2,1H3,(H4,12,13,14,15,16)
InChIKeyIIMWZMGAYFJQGB-UHFFFAOYSA-N
XLogP-0.37
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol (CID 113234360) is 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2nc(N)nc(N)n2)CC1.
What is the InChIKey of 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol?
The InChIKey is IIMWZMGAYFJQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-7(18)8-2-4-17(5-3-8)6-9-14-10(12)16-11(13)15-9/h7-8,18H,2-6H2,1H3,(H4,12,13,14,15,16).
What are the key properties of 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol?
1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol has a molecular weight of 252.32 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 113234360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).