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

C13H20N4O4 — CID 53422711

IUPAC2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESC=CCOc1nc(OCC=C)nc(N(CCO)CCO)n1
InChIInChI=1S/C13H20N4O4/c1-3-9-20-12-14-11(17(5-7-18)6-8-19)15-13(16-12)21-10-4-2/h3-4,18-19H,1-2,5-10H2
InChIKeyYAQKVHDUVGFABU-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.21
Rot. Bonds11

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

2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 53422711) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID53422711
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESC=CCOc1nc(OCC=C)nc(N(CCO)CCO)n1
InChIInChI=1S/C13H20N4O4/c1-3-9-20-12-14-11(17(5-7-18)6-8-19)15-13(16-12)21-10-4-2/h3-4,18-19H,1-2,5-10H2
InChIKeyYAQKVHDUVGFABU-UHFFFAOYSA-N
XLogP-0.21
TPSA100.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methanol, ((6-bis(1-hydroxy-2-propenyl)amino)-s-triazine-2,4-diyl)dinitrilotetra-
CID 3057354
4-(allyloxy)-N,N-dimethyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 2187729
2-((4,6-Bis(allyloxy)-1,3,5-triazin-2-yl)amino)ethanol
CID 6453153
[[4-[Bis(hydroxymethyl)amino]-6-[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
CID 20308938
1-[[4,6-Bis[bis(1-hydroxyprop-2-enyl)amino]-1,3,5-triazin-2-yl]-(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol
CID 66898366
[[4,6-Bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol;3-prop-2-enoxyprop-1-ene
CID 67920323
[[4-[Bis(hydroxymethyl)amino]-6-[hydroxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
CID 67920324
4-[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]morpholine
CID 68149051
6-prop-2-enoxy-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303275
N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 89303278
4-N-methyl-6-prop-2-enoxy-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303286
2-N,4-N-dimethyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303303

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (CID 53422711) is 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is C=CCOc1nc(OCC=C)nc(N(CCO)CCO)n1.
What is the InChIKey of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is YAQKVHDUVGFABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-3-9-20-12-14-11(17(5-7-18)6-8-19)15-13(16-12)21-10-4-2/h3-4,18-19H,1-2,5-10H2.
What are the key properties of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 296.33 g/mol, XLogP of -0.21, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 53422711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).