(E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid

C10H9N3O2 — CID 116989727

IUPAC(E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid
SMILESCc1ccn2nc(/C=C/C(=O)O)nc2c1
InChIInChI=1S/C10H9N3O2/c1-7-4-5-13-9(6-7)11-8(12-13)2-3-10(14)15/h2-6H,1H3,(H,14,15)/b3-2+
InChIKeyIVTMAUADCWUDGX-NSCUHMNNSA-N
MW203.20 g/mol
LogP1.14
Rot. Bonds2

About (E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid

(E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid (PubChem CID 116989727) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is (E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid
PubChem CID116989727
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name(E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid
SMILESCc1ccn2nc(/C=C/C(=O)O)nc2c1
InChIInChI=1S/C10H9N3O2/c1-7-4-5-13-9(6-7)11-8(12-13)2-3-10(14)15/h2-6H,1H3,(H,14,15)/b3-2+
InChIKeyIVTMAUADCWUDGX-NSCUHMNNSA-N
XLogP1.14
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid
CID 116990034
methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989721
3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid
CID 116989763
(E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 94964072
2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 83965742
3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116989744
(E)-3-[7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195945
(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 116989782
3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 76944842
(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195944
N-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]ethanamine
CID 116989689
4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117133645

Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid (CID 116989727) is (E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid is Cc1ccn2nc(/C=C/C(=O)O)nc2c1.
What is the InChIKey of (E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid?
The InChIKey is IVTMAUADCWUDGX-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-7-4-5-13-9(6-7)11-8(12-13)2-3-10(14)15/h2-6H,1H3,(H,14,15)/b3-2+.
What are the key properties of (E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid?
(E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid has a molecular weight of 203.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid is sourced from PubChem (CID 116989727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).