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

C12H15N3O3 — CID 135776479

IUPAC(Z)-1-[4,6-bis[(Z)-2-hydroxyprop-1-enyl]-1,3,5-triazin-2-yl]prop-1-en-2-ol
SMILESC/C(O)=C/c1nc(/C=C(/C)O)nc(/C=C(/C)O)n1
InChIInChI=1S/C12H15N3O3/c1-7(16)4-10-13-11(5-8(2)17)15-12(14-10)6-9(3)18/h4-6,16-18H,1-3H3/b7-4-,8-5-,9-6-
InChIKeyZRFNVDXOWIQERK-PXLQOLDUSA-N
MW249.27 g/mol
LogP2.63
Rot. Bonds3

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

(Z)-1-[4,6-bis[(Z)-2-hydroxyprop-1-enyl]-1,3,5-triazin-2-yl]prop-1-en-2-ol (PubChem CID 135776479) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (Z)-1-[4,6-bis[(Z)-2-hydroxyprop-1-enyl]-1,3,5-triazin-2-yl]prop-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1-[4,6-bis[(Z)-2-hydroxyprop-1-enyl]-1,3,5-triazin-2-yl]prop-1-en-2-ol
PubChem CID135776479
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(Z)-1-[4,6-bis[(Z)-2-hydroxyprop-1-enyl]-1,3,5-triazin-2-yl]prop-1-en-2-ol
SMILESC/C(O)=C/c1nc(/C=C(/C)O)nc(/C=C(/C)O)n1
InChIInChI=1S/C12H15N3O3/c1-7(16)4-10-13-11(5-8(2)17)15-12(14-10)6-9(3)18/h4-6,16-18H,1-3H3/b7-4-,8-5-,9-6-
InChIKeyZRFNVDXOWIQERK-PXLQOLDUSA-N
XLogP2.63
TPSA99.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4,6-bis[(Z)-2-hydroxyprop-1-enyl]-1,3,5-triazin-2-yl]prop-1-en-2-ol?
The IUPAC name of (Z)-1-[4,6-bis[(Z)-2-hydroxyprop-1-enyl]-1,3,5-triazin-2-yl]prop-1-en-2-ol (CID 135776479) is (Z)-1-[4,6-bis[(Z)-2-hydroxyprop-1-enyl]-1,3,5-triazin-2-yl]prop-1-en-2-ol.
What is the SMILES notation for (Z)-1-[4,6-bis[(Z)-2-hydroxyprop-1-enyl]-1,3,5-triazin-2-yl]prop-1-en-2-ol?
The canonical SMILES for (Z)-1-[4,6-bis[(Z)-2-hydroxyprop-1-enyl]-1,3,5-triazin-2-yl]prop-1-en-2-ol is C/C(O)=C/c1nc(/C=C(/C)O)nc(/C=C(/C)O)n1.
What is the InChIKey of (Z)-1-[4,6-bis[(Z)-2-hydroxyprop-1-enyl]-1,3,5-triazin-2-yl]prop-1-en-2-ol?
The InChIKey is ZRFNVDXOWIQERK-PXLQOLDUSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7(16)4-10-13-11(5-8(2)17)15-12(14-10)6-9(3)18/h4-6,16-18H,1-3H3/b7-4-,8-5-,9-6-.
What are the key properties of (Z)-1-[4,6-bis[(Z)-2-hydroxyprop-1-enyl]-1,3,5-triazin-2-yl]prop-1-en-2-ol?
(Z)-1-[4,6-bis[(Z)-2-hydroxyprop-1-enyl]-1,3,5-triazin-2-yl]prop-1-en-2-ol has a molecular weight of 249.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4,6-bis[(Z)-2-hydroxyprop-1-enyl]-1,3,5-triazin-2-yl]prop-1-en-2-ol is sourced from PubChem (CID 135776479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).