ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate

C13H15N5O2 — CID 138663394

IUPACethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(C3=CN(C)NN3)ccc2n1
InChIInChI=1S/C13H15N5O2/c1-3-20-13(19)11-8-18-6-9(4-5-12(18)14-11)10-7-17(2)16-15-10/h4-8,15-16H,3H2,1-2H3
InChIKeyPNTCXOCYTWDGSL-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.76
Rot. Bonds3

About ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 138663394) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID138663394
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Nameethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(C3=CN(C)NN3)ccc2n1
InChIInChI=1S/C13H15N5O2/c1-3-20-13(19)11-8-18-6-9(4-5-12(18)14-11)10-7-17(2)16-15-10/h4-8,15-16H,3H2,1-2H3
InChIKeyPNTCXOCYTWDGSL-UHFFFAOYSA-N
XLogP0.76
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Imidazo[1,2-a]pyridine-2-carbohydrazide
CID 3628165
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 717824
Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 821015
Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 860187
Ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate
CID 11736475
Ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 10567382
Methyl 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 718831
Ethyl 2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 2764795
Ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 682232
Imidazo(1,2-a)pyridine-3-carboxylic acid, 7-methyl-
CID 89055
Ethyl 6-nitroimidazo(1,2-a)pyridine-2-carboxylate
CID 12558381

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate (CID 138663394) is ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(C3=CN(C)NN3)ccc2n1.
What is the InChIKey of ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is PNTCXOCYTWDGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-3-20-13(19)11-8-18-6-9(4-5-12(18)14-11)10-7-17(2)16-15-10/h4-8,15-16H,3H2,1-2H3.
What are the key properties of ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 273.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 138663394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).