1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol

C10H20N6O6 — CID 152558023

IUPAC1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol
SMILESCC(O)N(CO)c1nc(N(CO)CO)nc(N(CO)CO)n1
InChIInChI=1S/C10H20N6O6/c1-7(22)16(6-21)10-12-8(14(2-17)3-18)11-9(13-10)15(4-19)5-20/h7,17-22H,2-6H2,1H3
InChIKeyYOXAJFOTKKRXEQ-UHFFFAOYSA-N
MW320.31 g/mol
LogP-3.62
Rot. Bonds9

About 1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol

1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol (PubChem CID 152558023) has the molecular formula C10H20N6O6 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol.

Molecular Properties

Compound Name1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol
PubChem CID152558023
Molecular FormulaC10H20N6O6
Molecular Weight320.31 g/mol
Exact Mass320.14
IUPAC Name1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol
SMILESCC(O)N(CO)c1nc(N(CO)CO)nc(N(CO)CO)n1
InChIInChI=1S/C10H20N6O6/c1-7(22)16(6-21)10-12-8(14(2-17)3-18)11-9(13-10)15(4-19)5-20/h7,17-22H,2-6H2,1H3
InChIKeyYOXAJFOTKKRXEQ-UHFFFAOYSA-N
XLogP-3.62
TPSA169.77 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500320.31
LogP ≤ 5-3.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol?
The IUPAC name of 1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol (CID 152558023) is 1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol.
What is the SMILES notation for 1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol?
The canonical SMILES for 1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol is CC(O)N(CO)c1nc(N(CO)CO)nc(N(CO)CO)n1.
What is the InChIKey of 1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol?
The InChIKey is YOXAJFOTKKRXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O6/c1-7(22)16(6-21)10-12-8(14(2-17)3-18)11-9(13-10)15(4-19)5-20/h7,17-22H,2-6H2,1H3.
What are the key properties of 1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol?
1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol has a molecular weight of 320.31 g/mol, XLogP of -3.62, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]ethanol is sourced from PubChem (CID 152558023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).