1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol

C12H15N3O6 — CID 67082402

IUPAC1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol
SMILESC=CC(O)Oc1nc(OC(O)C=C)nc(OC(O)C=C)n1
InChIInChI=1S/C12H15N3O6/c1-4-7(16)19-10-13-11(20-8(17)5-2)15-12(14-10)21-9(18)6-3/h4-9,16-18H,1-3H2
InChIKeyWQHSTPUKFGWBDU-UHFFFAOYSA-N
MW297.27 g/mol
LogP-0.48
Rot. Bonds9

About 1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol

1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol (PubChem CID 67082402) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is 1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol
PubChem CID67082402
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol
SMILESC=CC(O)Oc1nc(OC(O)C=C)nc(OC(O)C=C)n1
InChIInChI=1S/C12H15N3O6/c1-4-7(16)19-10-13-11(20-8(17)5-2)15-12(14-10)21-9(18)6-3/h4-9,16-18H,1-3H2
InChIKeyWQHSTPUKFGWBDU-UHFFFAOYSA-N
XLogP-0.48
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol with MolForge

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Related Compounds

2-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol
CID 19894488
Prop-2-enoxymethanol;1,3,5-triazine-2,4,6-triamine
CID 67924821
3-[[4,6-Bis(3-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-1-en-1-ol
CID 70571868
2-(Methoxymethoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 138591652
1-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol
CID 140339658
1-[[4-(2-Methylprop-2-enoxy)-6-prop-2-enoxy-1,3,5-triazin-2-yl]oxy]ethanol
CID 141710051

Frequently Asked Questions

What is the IUPAC name of 1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol?
The IUPAC name of 1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol (CID 67082402) is 1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol.
What is the SMILES notation for 1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol?
The canonical SMILES for 1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol is C=CC(O)Oc1nc(OC(O)C=C)nc(OC(O)C=C)n1.
What is the InChIKey of 1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol?
The InChIKey is WQHSTPUKFGWBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-4-7(16)19-10-13-11(20-8(17)5-2)15-12(14-10)21-9(18)6-3/h4-9,16-18H,1-3H2.
What are the key properties of 1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol?
1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol has a molecular weight of 297.27 g/mol, XLogP of -0.48, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,6-bis(1-hydroxyprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]prop-2-en-1-ol is sourced from PubChem (CID 67082402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).