ethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate

C9H10N4O3 — CID 60735764

IUPACethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C9H10N4O3/c1-2-15-8(14)6-13-11-9(10-12-13)7-4-3-5-16-7/h3-5H,2,6H2,1H3
InChIKeyWHXJSWHZESYRAU-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.50
Rot. Bonds4

About ethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate

ethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate (PubChem CID 60735764) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is ethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate
PubChem CID60735764
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Nameethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C9H10N4O3/c1-2-15-8(14)6-13-11-9(10-12-13)7-4-3-5-16-7/h3-5H,2,6H2,1H3
InChIKeyWHXJSWHZESYRAU-UHFFFAOYSA-N
XLogP0.50
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate (CID 60735764) is ethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate is CCOC(=O)Cn1nnc(-c2ccco2)n1.
What is the InChIKey of ethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate?
The InChIKey is WHXJSWHZESYRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-2-15-8(14)6-13-11-9(10-12-13)7-4-3-5-16-7/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate?
ethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate has a molecular weight of 222.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate is sourced from PubChem (CID 60735764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).