ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate

C12H14N4O3 — CID 110474210

IUPACethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1nc2ccc(C)cn2n1
InChIInChI=1S/C12H14N4O3/c1-3-19-11(18)6-10(17)14-12-13-9-5-4-8(2)7-16(9)15-12/h4-5,7H,3,6H2,1-2H3,(H,14,15,17)
InChIKeyBFGWCWHDOAJSAH-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.93
Rot. Bonds4

About ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate

ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate (PubChem CID 110474210) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate
PubChem CID110474210
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Nameethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1nc2ccc(C)cn2n1
InChIInChI=1S/C12H14N4O3/c1-3-19-11(18)6-10(17)14-12-13-9-5-4-8(2)7-16(9)15-12/h4-5,7H,3,6H2,1-2H3,(H,14,15,17)
InChIKeyBFGWCWHDOAJSAH-UHFFFAOYSA-N
XLogP0.93
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate?
The IUPAC name of ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate (CID 110474210) is ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate is CCOC(=O)CC(=O)Nc1nc2ccc(C)cn2n1.
What is the InChIKey of ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate?
The InChIKey is BFGWCWHDOAJSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-3-19-11(18)6-10(17)14-12-13-9-5-4-8(2)7-16(9)15-12/h4-5,7H,3,6H2,1-2H3,(H,14,15,17).
What are the key properties of ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate?
ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate has a molecular weight of 262.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate is sourced from PubChem (CID 110474210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).