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

C11H16N4O3 — CID 6453153

IUPAC2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]ethanol
SMILESC=CCOc1nc(NCCO)nc(OCC=C)n1
InChIInChI=1S/C11H16N4O3/c1-3-7-17-10-13-9(12-5-6-16)14-11(15-10)18-8-4-2/h3-4,16H,1-2,5-8H2,(H,12,13,14,15)
InChIKeyANNMVJZJFWYKHV-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.41
Rot. Bonds9

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

2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 6453153) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID6453153
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]ethanol
SMILESC=CCOc1nc(NCCO)nc(OCC=C)n1
InChIInChI=1S/C11H16N4O3/c1-3-7-17-10-13-9(12-5-6-16)14-11(15-10)18-8-4-2/h3-4,16H,1-2,5-8H2,(H,12,13,14,15)
InChIKeyANNMVJZJFWYKHV-UHFFFAOYSA-N
XLogP0.41
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

2-(4-Allylamino-6-methoxy-[1,3,5]triazin-2-ylamino)-2-methyl-propan-1-ol
CID 3121124
2-{[4-(Allylamino)-6-ethoxy-1,3,5-triazin-2-yl]amino}-2-methylpropan-1-ol
CID 3238010
Cambridge id 6807868
CID 35116
6-(allyloxy)-N~2~,N~4~-diisopropyl-1,3,5-triazine-2,4-diamine
CID 6618995
6-(allyloxy)-N'-ethyl-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 2055870
2,4-Diallylamino-6-allyloxy-sym-triazine
CID 89303317
4,6-Bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine
CID 104663
2,2'-((4,6-Bis(allyloxy)-1,3,5-triazin-2-yl)imino)bisethanol
CID 53422711
4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 20463
4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 12205823
4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 23310878
6-N-ethyl-2-N-[[(E)-4-methoxybut-2-enoxy]methyl]-4-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 59141692

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]ethanol (CID 6453153) is 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]ethanol is C=CCOc1nc(NCCO)nc(OCC=C)n1.
What is the InChIKey of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is ANNMVJZJFWYKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-7-17-10-13-9(12-5-6-16)14-11(15-10)18-8-4-2/h3-4,16H,1-2,5-8H2,(H,12,13,14,15).
What are the key properties of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 252.27 g/mol, XLogP of 0.41, 9 rotatable bonds, 2 hydrogen bond donors, and 7 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]amino]ethanol is sourced from PubChem (CID 6453153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).