ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

C9H10N4O2 — CID 121232268

IUPACethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccn2nc(N)nc2c1
InChIInChI=1S/C9H10N4O2/c1-2-15-8(14)6-3-4-13-7(5-6)11-9(10)12-13/h3-5H,2H2,1H3,(H2,10,12)
InChIKeyJFZGOYNTTPESIR-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.49
Rot. Bonds2

About ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (PubChem CID 121232268) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
PubChem CID121232268
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Nameethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccn2nc(N)nc2c1
InChIInChI=1S/C9H10N4O2/c1-2-15-8(14)6-3-4-13-7(5-6)11-9(10)12-13/h3-5H,2H2,1H3,(H2,10,12)
InChIKeyJFZGOYNTTPESIR-UHFFFAOYSA-N
XLogP0.49
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 123942366
ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate
CID 66677880
ethyl 2-phenylpyrazolo[1,5-a]pyridine-5-carboxylate
CID 46223052
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 4-amino-3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzoate
CID 82795590
ethyl 4-bromo-3-(1,2,4-triazol-4-yl)benzoate
CID 56737246
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 4-aminobenzoate
CID 2337
methyl 2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134868
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
CID 67965026

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (CID 121232268) is ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is CCOC(=O)c1ccn2nc(N)nc2c1.
What is the InChIKey of ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The InChIKey is JFZGOYNTTPESIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-15-8(14)6-3-4-13-7(5-6)11-9(10)12-13/h3-5H,2H2,1H3,(H2,10,12).
What are the key properties of ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 121232268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).