ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate

C10H11N3O2 — CID 123942366

IUPACethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccn2c(C)nnc2c1
InChIInChI=1S/C10H11N3O2/c1-3-15-10(14)8-4-5-13-7(2)11-12-9(13)6-8/h4-6H,3H2,1-2H3
InChIKeyIBXAKVPLCNQQTB-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.21
Rot. Bonds2

About ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate

ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate (PubChem CID 123942366) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
PubChem CID123942366
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Nameethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccn2c(C)nnc2c1
InChIInChI=1S/C10H11N3O2/c1-3-15-10(14)8-4-5-13-7(2)11-12-9(13)6-8/h4-6H,3H2,1-2H3
InChIKeyIBXAKVPLCNQQTB-UHFFFAOYSA-N
XLogP1.21
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 121232268
N-[2-(diethylamino)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 84577912
ethyl 2,3-dibromoindolizine-7-carboxylate
CID 102279056
[4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
CID 112531725
ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate
CID 66677880
3-methyl-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 112530190
diethyl benzene-1,3-dicarboxylate
CID 12491
diethyl 1,2,3,4-tetrahydropyrido[1,2-a]indole-8,10-dicarboxylate
CID 101428187
ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate
CID 59419625
(2-methylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
CID 84578046
ethyl 1-methylpyrrole-3-carboxylate;hydrochloride
CID 141408299
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
The IUPAC name of ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate (CID 123942366) is ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
The canonical SMILES for ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate is CCOC(=O)c1ccn2c(C)nnc2c1.
What is the InChIKey of ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
The InChIKey is IBXAKVPLCNQQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-3-15-10(14)8-4-5-13-7(2)11-12-9(13)6-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate has a molecular weight of 205.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate is sourced from PubChem (CID 123942366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).