ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate

C13H14N6O2 — CID 79309593

IUPACethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1Cc1cn2cc(C)ccc2n1
InChIInChI=1S/C13H14N6O2/c1-3-21-13(20)12-15-16-17-19(12)8-10-7-18-6-9(2)4-5-11(18)14-10/h4-7H,3,8H2,1-2H3
InChIKeyWAFOQMKZDBFGIW-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.85
Rot. Bonds4

About ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate

ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate (PubChem CID 79309593) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate
PubChem CID79309593
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Nameethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1Cc1cn2cc(C)ccc2n1
InChIInChI=1S/C13H14N6O2/c1-3-21-13(20)12-15-16-17-19(12)8-10-7-18-6-9(2)4-5-11(18)14-10/h4-7H,3,8H2,1-2H3
InChIKeyWAFOQMKZDBFGIW-UHFFFAOYSA-N
XLogP0.85
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate (CID 79309593) is ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate is CCOC(=O)c1nnnn1Cc1cn2cc(C)ccc2n1.
What is the InChIKey of ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate?
The InChIKey is WAFOQMKZDBFGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-3-21-13(20)12-15-16-17-19(12)8-10-7-18-6-9(2)4-5-11(18)14-10/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate?
ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate has a molecular weight of 286.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate is sourced from PubChem (CID 79309593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).