ethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate

C10H11N5O2 — CID 67707613

IUPACethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nnnc1-c1ccccn1
InChIInChI=1S/C10H11N5O2/c1-2-17-9(16)7-15-10(12-13-14-15)8-5-3-4-6-11-8/h3-6H,2,7H2,1H3
InChIKeyYMLNXDPYYMIPGT-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.30
Rot. Bonds4

About ethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate

ethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate (PubChem CID 67707613) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is ethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate
PubChem CID67707613
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Nameethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nnnc1-c1ccccn1
InChIInChI=1S/C10H11N5O2/c1-2-17-9(16)7-15-10(12-13-14-15)8-5-3-4-6-11-8/h3-6H,2,7H2,1H3
InChIKeyYMLNXDPYYMIPGT-UHFFFAOYSA-N
XLogP0.30
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate (CID 67707613) is ethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate is CCOC(=O)Cn1nnnc1-c1ccccn1.
What is the InChIKey of ethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate?
The InChIKey is YMLNXDPYYMIPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-2-17-9(16)7-15-10(12-13-14-15)8-5-3-4-6-11-8/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate?
ethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate has a molecular weight of 233.23 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-pyridin-2-yltetrazol-1-yl)acetate is sourced from PubChem (CID 67707613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).