benzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate

C15H17N5O2 — CID 82365205

IUPACbenzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate
SMILESO=C(CN1CCC=C(c2nn[nH]n2)C1)OCc1ccccc1
InChIInChI=1S/C15H17N5O2/c21-14(22-11-12-5-2-1-3-6-12)10-20-8-4-7-13(9-20)15-16-18-19-17-15/h1-3,5-7H,4,8-11H2,(H,16,17,18,19)
InChIKeyDCIZNLWCNQGQFG-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.03
Rot. Bonds5

About benzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate

benzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate (PubChem CID 82365205) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is benzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate
PubChem CID82365205
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Namebenzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate
SMILESO=C(CN1CCC=C(c2nn[nH]n2)C1)OCc1ccccc1
InChIInChI=1S/C15H17N5O2/c21-14(22-11-12-5-2-1-3-6-12)10-20-8-4-7-13(9-20)15-16-18-19-17-15/h1-3,5-7H,4,8-11H2,(H,16,17,18,19)
InChIKeyDCIZNLWCNQGQFG-UHFFFAOYSA-N
XLogP1.03
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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benzyl 2-[3-(hydroxymethyl)azetidin-1-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate?
The IUPAC name of benzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate (CID 82365205) is benzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate.
What is the SMILES notation for benzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate?
The canonical SMILES for benzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate is O=C(CN1CCC=C(c2nn[nH]n2)C1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate?
The InChIKey is DCIZNLWCNQGQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-14(22-11-12-5-2-1-3-6-12)10-20-8-4-7-13(9-20)15-16-18-19-17-15/h1-3,5-7H,4,8-11H2,(H,16,17,18,19).
What are the key properties of benzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate?
benzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate has a molecular weight of 299.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetate is sourced from PubChem (CID 82365205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).