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

C9H17N5O6 — CID 59755518

IUPAC2-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethanol
SMILESOCCOc1nc(N(CO)CO)nc(N(CO)CO)n1
InChIInChI=1S/C9H17N5O6/c15-1-2-20-9-11-7(13(3-16)4-17)10-8(12-9)14(5-18)6-19/h15-19H,1-6H2
InChIKeyIAOGHBCXKJBMAU-UHFFFAOYSA-N
MW291.26 g/mol
LogP-3.35
Rot. Bonds9

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

2-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethanol (PubChem CID 59755518) has the molecular formula C9H17N5O6 and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethanol
PubChem CID59755518
Molecular FormulaC9H17N5O6
Molecular Weight291.26 g/mol
Exact Mass291.12
IUPAC Name2-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethanol
SMILESOCCOc1nc(N(CO)CO)nc(N(CO)CO)n1
InChIInChI=1S/C9H17N5O6/c15-1-2-20-9-11-7(13(3-16)4-17)10-8(12-9)14(5-18)6-19/h15-19H,1-6H2
InChIKeyIAOGHBCXKJBMAU-UHFFFAOYSA-N
XLogP-3.35
TPSA155.53 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.26
LogP ≤ 5-3.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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 2-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethanol?
The IUPAC name of 2-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethanol (CID 59755518) is 2-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethanol.
What is the SMILES notation for 2-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethanol?
The canonical SMILES for 2-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethanol is OCCOc1nc(N(CO)CO)nc(N(CO)CO)n1.
What is the InChIKey of 2-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethanol?
The InChIKey is IAOGHBCXKJBMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O6/c15-1-2-20-9-11-7(13(3-16)4-17)10-8(12-9)14(5-18)6-19/h15-19H,1-6H2.
What are the key properties of 2-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethanol?
2-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethanol has a molecular weight of 291.26 g/mol, XLogP of -3.35, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]oxy]ethanol is sourced from PubChem (CID 59755518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).