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

C5H9N5O2 — CID 11970841

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol
SMILESNc1nc(N)nc(OCCO)n1
InChIInChI=1S/C5H9N5O2/c6-3-8-4(7)10-5(9-3)12-2-1-11/h11H,1-2H2,(H4,6,7,8,9,10)
InChIKeyNNGSAOWVXUXCDK-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.59
Rot. Bonds3

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

2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol (PubChem CID 11970841) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol
PubChem CID11970841
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol
SMILESNc1nc(N)nc(OCCO)n1
InChIInChI=1S/C5H9N5O2/c6-3-8-4(7)10-5(9-3)12-2-1-11/h11H,1-2H2,(H4,6,7,8,9,10)
InChIKeyNNGSAOWVXUXCDK-UHFFFAOYSA-N
XLogP-1.59
TPSA120.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol (CID 11970841) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol is Nc1nc(N)nc(OCCO)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol?
The InChIKey is NNGSAOWVXUXCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c6-3-8-4(7)10-5(9-3)12-2-1-11/h11H,1-2H2,(H4,6,7,8,9,10).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol?
2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol has a molecular weight of 171.16 g/mol, XLogP of -1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)oxy]ethanol is sourced from PubChem (CID 11970841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).