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

C7H14N6O2 — CID 154631751

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)-ethoxyamino]ethanol
SMILESCCON(CCO)c1nc(N)nc(N)n1
InChIInChI=1S/C7H14N6O2/c1-2-15-13(3-4-14)7-11-5(8)10-6(9)12-7/h14H,2-4H2,1H3,(H4,8,9,10,11,12)
InChIKeyROIGXJXPUDCIRN-UHFFFAOYSA-N
MW214.23 g/mol
LogP-1.21
Rot. Bonds5

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

2-[(4,6-diamino-1,3,5-triazin-2-yl)-ethoxyamino]ethanol (PubChem CID 154631751) has the molecular formula C7H14N6O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)-ethoxyamino]ethanol.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)-ethoxyamino]ethanol
PubChem CID154631751
Molecular FormulaC7H14N6O2
Molecular Weight214.23 g/mol
Exact Mass214.12
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)-ethoxyamino]ethanol
SMILESCCON(CCO)c1nc(N)nc(N)n1
InChIInChI=1S/C7H14N6O2/c1-2-15-13(3-4-14)7-11-5(8)10-6(9)12-7/h14H,2-4H2,1H3,(H4,8,9,10,11,12)
InChIKeyROIGXJXPUDCIRN-UHFFFAOYSA-N
XLogP-1.21
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)-ethoxyamino]ethanol?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)-ethoxyamino]ethanol (CID 154631751) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)-ethoxyamino]ethanol.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)-ethoxyamino]ethanol?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)-ethoxyamino]ethanol is CCON(CCO)c1nc(N)nc(N)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)-ethoxyamino]ethanol?
The InChIKey is ROIGXJXPUDCIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O2/c1-2-15-13(3-4-14)7-11-5(8)10-6(9)12-7/h14H,2-4H2,1H3,(H4,8,9,10,11,12).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)-ethoxyamino]ethanol?
2-[(4,6-diamino-1,3,5-triazin-2-yl)-ethoxyamino]ethanol has a molecular weight of 214.23 g/mol, XLogP of -1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)-ethoxyamino]ethanol is sourced from PubChem (CID 154631751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).