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

C9H18N6O3 — CID 22996585

IUPAC1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC(O)Nc1nc(N)nc(N(C(C)O)C(C)O)n1
InChIInChI=1S/C9H18N6O3/c1-4(16)11-8-12-7(10)13-9(14-8)15(5(2)17)6(3)18/h4-6,16-18H,1-3H3,(H3,10,11,12,13,14)
InChIKeyFJJBTRRACNNRGI-UHFFFAOYSA-N
MW258.28 g/mol
LogP-1.31
Rot. Bonds5

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

1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 22996585) has the molecular formula C9H18N6O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID22996585
Molecular FormulaC9H18N6O3
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC Name1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC(O)Nc1nc(N)nc(N(C(C)O)C(C)O)n1
InChIInChI=1S/C9H18N6O3/c1-4(16)11-8-12-7(10)13-9(14-8)15(5(2)17)6(3)18/h4-6,16-18H,1-3H3,(H3,10,11,12,13,14)
InChIKeyFJJBTRRACNNRGI-UHFFFAOYSA-N
XLogP-1.31
TPSA140.65 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-1.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol (CID 22996585) is 1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol is CC(O)Nc1nc(N)nc(N(C(C)O)C(C)O)n1.
What is the InChIKey of 1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is FJJBTRRACNNRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O3/c1-4(16)11-8-12-7(10)13-9(14-8)15(5(2)17)6(3)18/h4-6,16-18H,1-3H3,(H3,10,11,12,13,14).
What are the key properties of 1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 258.28 g/mol, XLogP of -1.31, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-[bis(1-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 22996585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).