bis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate

C10H6N6O4 — CID 70472247

IUPACbis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)Oc1ncncn1)Oc1ncncn1
InChIInChI=1S/C10H6N6O4/c17-7(19-9-13-3-11-4-14-9)1-2-8(18)20-10-15-5-12-6-16-10/h1-6H/b2-1-
InChIKeyAGMAAQNOZWBUCO-UPHRSURJSA-N
MW274.20 g/mol
LogP-0.88
Rot. Bonds4

About bis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate

bis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate (PubChem CID 70472247) has the molecular formula C10H6N6O4 and a molecular weight of 274.20 g/mol. Its IUPAC name is bis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate
PubChem CID70472247
Molecular FormulaC10H6N6O4
Molecular Weight274.20 g/mol
Exact Mass274.05
IUPAC Namebis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)Oc1ncncn1)Oc1ncncn1
InChIInChI=1S/C10H6N6O4/c17-7(19-9-13-3-11-4-14-9)1-2-8(18)20-10-15-5-12-6-16-10/h1-6H/b2-1-
InChIKeyAGMAAQNOZWBUCO-UPHRSURJSA-N
XLogP-0.88
TPSA129.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,3,5-triazin-2-yl 2-(dichloroamino)acetate
CID 54360439
1,3,5-triazin-2-yl 2-cyanoprop-2-enoate
CID 67879620
1,3,5-triazin-2-yl dihydrogen phosphate
CID 57201791
(4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate
CID 175149649
2-(2-methoxyethoxy)-1,3,5-triazine
CID 154184593
4-oxo-4-pyridin-3-yloxybut-2-enoic acid
CID 57184664
1,3,5-triazin-2-yl 2-fluoro-4,6-dimethoxybenzoate
CID 175448171
bis(4-fluorophenyl) (E)-but-2-enedioate
CID 175341971
bis(2,3,4,6-tetrachlorophenyl) (E)-but-2-enedioate
CID 91742133
mercury;(Z)-4-oxo-4-phenoxybut-2-enoic acid
CID 67065285
dicyclopenta-1,3-dien-1-yl (E)-but-2-enedioate
CID 18347223
ethyl 1,3,5-triazine-2-carboxylate
CID 23260906

Frequently Asked Questions

What is the IUPAC name of bis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate?
The IUPAC name of bis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate (CID 70472247) is bis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate?
The canonical SMILES for bis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate is O=C(/C=C\C(=O)Oc1ncncn1)Oc1ncncn1.
What is the InChIKey of bis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate?
The InChIKey is AGMAAQNOZWBUCO-UPHRSURJSA-N. The full InChI is InChI=1S/C10H6N6O4/c17-7(19-9-13-3-11-4-14-9)1-2-8(18)20-10-15-5-12-6-16-10/h1-6H/b2-1-.
What are the key properties of bis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate?
bis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate has a molecular weight of 274.20 g/mol, XLogP of -0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3,5-triazin-2-yl) (Z)-but-2-enedioate is sourced from PubChem (CID 70472247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).