ethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate

C11H11N3O2 — CID 169193568

IUPACethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc2cnnn2c1
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)6-4-9-3-5-10-7-12-13-14(10)8-9/h3-8H,2H2,1H3/b6-4+
InChIKeyVMBKINIIZTWGMY-GQCTYLIASA-N
MW217.23 g/mol
LogP1.31
Rot. Bonds3

About ethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate

ethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate (PubChem CID 169193568) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is ethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate
PubChem CID169193568
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Nameethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc2cnnn2c1
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)6-4-9-3-5-10-7-12-13-14(10)8-9/h3-8H,2H2,1H3/b6-4+
InChIKeyVMBKINIIZTWGMY-GQCTYLIASA-N
XLogP1.31
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(1-ethylpyrazol-4-yl)prop-2-enoate
CID 118170825
ethyl 3-[3-amino-4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 2749811
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl 3-(1-methyltriazol-4-yl)prop-2-enoate
CID 123774652
ethyl (E)-3-[4-(2,2-dihydroxyethyl)phenyl]prop-2-enoate
CID 20644926
methyl 5-(3-ethoxy-3-oxoprop-1-enyl)pyridine-2-carboxylate
CID 169480662
ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate
CID 18348054
ethyl 3-(1H-pyrazol-4-yl)prop-2-enoate
CID 123975493
ethyl (E)-3-(4-pyrrol-1-ylphenyl)prop-2-enoate
CID 18923354
ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate
CID 169480130
ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate
CID 169480915
ethyl (E)-3-[4-(4-bromophenyl)phenyl]prop-2-enoate
CID 10544468

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate (CID 169193568) is ethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate is CCOC(=O)/C=C/c1ccc2cnnn2c1.
What is the InChIKey of ethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate?
The InChIKey is VMBKINIIZTWGMY-GQCTYLIASA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-16-11(15)6-4-9-3-5-10-7-12-13-14(10)8-9/h3-8H,2H2,1H3/b6-4+.
What are the key properties of ethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate?
ethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate has a molecular weight of 217.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(triazolo[1,5-a]pyridin-6-yl)prop-2-enoate is sourced from PubChem (CID 169193568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).