triazolo[4,5-b]pyridin-3-yl prop-2-enoate

C8H6N4O2 — CID 154003219

IUPACtriazolo[4,5-b]pyridin-3-yl prop-2-enoate
SMILESC=CC(=O)On1nnc2cccnc21
InChIInChI=1S/C8H6N4O2/c1-2-7(13)14-12-8-6(10-11-12)4-3-5-9-8/h2-5H,1H2
InChIKeyHBMPHDGIKZIKTO-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.03
Rot. Bonds2

About triazolo[4,5-b]pyridin-3-yl prop-2-enoate

triazolo[4,5-b]pyridin-3-yl prop-2-enoate (PubChem CID 154003219) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is triazolo[4,5-b]pyridin-3-yl prop-2-enoate.

Molecular Properties

Compound Nametriazolo[4,5-b]pyridin-3-yl prop-2-enoate
PubChem CID154003219
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Nametriazolo[4,5-b]pyridin-3-yl prop-2-enoate
SMILESC=CC(=O)On1nnc2cccnc21
InChIInChI=1S/C8H6N4O2/c1-2-7(13)14-12-8-6(10-11-12)4-3-5-9-8/h2-5H,1H2
InChIKeyHBMPHDGIKZIKTO-UHFFFAOYSA-N
XLogP-0.03
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

triazolo[4,5-b]pyridin-3-yl acetate
CID 18737155
bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate
CID 163873045
triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate
CID 142096883
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
triazolo[4,5-b]pyridin-3-ylmethanol
CID 141117967
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
1-O-tert-butyl 3-O-(triazolo[4,5-b]pyridin-3-yl) (3S,4S)-4-aminopiperidine-1,3-dicarboxylate
CID 88579104
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

Frequently Asked Questions

What is the IUPAC name of triazolo[4,5-b]pyridin-3-yl prop-2-enoate?
The IUPAC name of triazolo[4,5-b]pyridin-3-yl prop-2-enoate (CID 154003219) is triazolo[4,5-b]pyridin-3-yl prop-2-enoate.
What is the SMILES notation for triazolo[4,5-b]pyridin-3-yl prop-2-enoate?
The canonical SMILES for triazolo[4,5-b]pyridin-3-yl prop-2-enoate is C=CC(=O)On1nnc2cccnc21.
What is the InChIKey of triazolo[4,5-b]pyridin-3-yl prop-2-enoate?
The InChIKey is HBMPHDGIKZIKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c1-2-7(13)14-12-8-6(10-11-12)4-3-5-9-8/h2-5H,1H2.
What are the key properties of triazolo[4,5-b]pyridin-3-yl prop-2-enoate?
triazolo[4,5-b]pyridin-3-yl prop-2-enoate has a molecular weight of 190.16 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triazolo[4,5-b]pyridin-3-yl prop-2-enoate is sourced from PubChem (CID 154003219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).