bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate

C15H10N8O4 — CID 163873045

IUPACbis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate
SMILESO=C(/C=C/CC(=O)On1nnc2cccnc21)On1nnc2cccnc21
InChIInChI=1S/C15H10N8O4/c24-12(26-22-14-10(18-20-22)4-2-8-16-14)6-1-7-13(25)27-23-15-11(19-21-23)5-3-9-17-15/h1-6,8-9H,7H2/b6-1+
InChIKeyPMMMWHBMRDVBQP-LZCJLJQNSA-N
MW366.30 g/mol
LogP-0.48
Rot. Bonds5

About bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate

bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate (PubChem CID 163873045) has the molecular formula C15H10N8O4 and a molecular weight of 366.30 g/mol. Its IUPAC name is bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate.

Molecular Properties

Compound Namebis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate
PubChem CID163873045
Molecular FormulaC15H10N8O4
Molecular Weight366.30 g/mol
Exact Mass366.08
IUPAC Namebis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate
SMILESO=C(/C=C/CC(=O)On1nnc2cccnc21)On1nnc2cccnc21
InChIInChI=1S/C15H10N8O4/c24-12(26-22-14-10(18-20-22)4-2-8-16-14)6-1-7-13(25)27-23-15-11(19-21-23)5-3-9-17-15/h1-6,8-9H,7H2/b6-1+
InChIKeyPMMMWHBMRDVBQP-LZCJLJQNSA-N
XLogP-0.48
TPSA139.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.30
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triazolo[4,5-b]pyridin-3-yl prop-2-enoate
CID 154003219
triazolo[4,5-b]pyridin-3-yl acetate
CID 18737155
triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate
CID 142096883
triazolo[4,5-b]pyridin-3-ylmethanol
CID 141117967
triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 161000386
[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;N-methylacetamide;hexafluorophosphate
CID 22667883
triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate
CID 153388660
tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
CID 175569203
5-amino-3-ethyl-1-phenylpyrazole-4-carboxylic acid;triazolo[4,5-b]pyridin-3-yl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate
CID 87711291
2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid
CID 67201217
pyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
CID 58602324
triazolo[4,5-b]pyridin-3-yl 5-amino-3-ethyl-1-(thian-4-yl)pyrazole-4-carboxylate
CID 86628025

Frequently Asked Questions

What is the IUPAC name of bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate?
The IUPAC name of bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate (CID 163873045) is bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate.
What is the SMILES notation for bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate?
The canonical SMILES for bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate is O=C(/C=C/CC(=O)On1nnc2cccnc21)On1nnc2cccnc21.
What is the InChIKey of bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate?
The InChIKey is PMMMWHBMRDVBQP-LZCJLJQNSA-N. The full InChI is InChI=1S/C15H10N8O4/c24-12(26-22-14-10(18-20-22)4-2-8-16-14)6-1-7-13(25)27-23-15-11(19-21-23)5-3-9-17-15/h1-6,8-9H,7H2/b6-1+.
What are the key properties of bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate?
bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate has a molecular weight of 366.30 g/mol, XLogP of -0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate is sourced from PubChem (CID 163873045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).