ethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate

C12H13N5O2 — CID 86727108

IUPACethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate
SMILESCCOC(=O)C1CCc2cc(-n3cnnn3)cnc21
InChIInChI=1S/C12H13N5O2/c1-2-19-12(18)10-4-3-8-5-9(6-13-11(8)10)17-7-14-15-16-17/h5-7,10H,2-4H2,1H3
InChIKeyVDIUUOAEUHERKP-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.65
Rot. Bonds3

About ethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate

ethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate (PubChem CID 86727108) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is ethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate
PubChem CID86727108
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Nameethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate
SMILESCCOC(=O)C1CCc2cc(-n3cnnn3)cnc21
InChIInChI=1S/C12H13N5O2/c1-2-19-12(18)10-4-3-8-5-9(6-13-11(8)10)17-7-14-15-16-17/h5-7,10H,2-4H2,1H3
InChIKeyVDIUUOAEUHERKP-UHFFFAOYSA-N
XLogP0.65
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate?
The IUPAC name of ethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate (CID 86727108) is ethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate?
The canonical SMILES for ethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate is CCOC(=O)C1CCc2cc(-n3cnnn3)cnc21.
What is the InChIKey of ethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate?
The InChIKey is VDIUUOAEUHERKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-2-19-12(18)10-4-3-8-5-9(6-13-11(8)10)17-7-14-15-16-17/h5-7,10H,2-4H2,1H3.
What are the key properties of ethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate?
ethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate has a molecular weight of 259.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(tetrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxylate is sourced from PubChem (CID 86727108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).