ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate

C10H10N4O3 — CID 110471107

IUPACethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate
SMILESCCOC(=O)C(=O)Nc1nnc2ccccn12
InChIInChI=1S/C10H10N4O3/c1-2-17-9(16)8(15)11-10-13-12-7-5-3-4-6-14(7)10/h3-6H,2H2,1H3,(H,11,13,15)
InChIKeyVHDBBKBFMPWNBM-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.23
Rot. Bonds2

About ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate

ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate (PubChem CID 110471107) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate
PubChem CID110471107
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Nameethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate
SMILESCCOC(=O)C(=O)Nc1nnc2ccccn12
InChIInChI=1S/C10H10N4O3/c1-2-17-9(16)8(15)11-10-13-12-7-5-3-4-6-14(7)10/h3-6H,2H2,1H3,(H,11,13,15)
InChIKeyVHDBBKBFMPWNBM-UHFFFAOYSA-N
XLogP0.23
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 53204392
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide
CID 53204403
ethyl 3-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoate
CID 60626192
3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 38999513
4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride
CID 119856894
ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate
CID 75480680
N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide
CID 47026097
(2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide
CID 61275748
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide
CID 75443566
2-(3-methyl-4-propan-2-ylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 51117632
1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 53204464
(2S)-2-benzylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 51958568

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate?
The IUPAC name of ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate (CID 110471107) is ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate?
The canonical SMILES for ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate is CCOC(=O)C(=O)Nc1nnc2ccccn12.
What is the InChIKey of ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate?
The InChIKey is VHDBBKBFMPWNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-2-17-9(16)8(15)11-10-13-12-7-5-3-4-6-14(7)10/h3-6H,2H2,1H3,(H,11,13,15).
What are the key properties of ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate?
ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate has a molecular weight of 234.22 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate is sourced from PubChem (CID 110471107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).