ethyl 2-(5-acetyltetrazol-1-yl)acetate

C7H10N4O3 — CID 14026753

IUPACethyl 2-(5-acetyltetrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nnnc1C(C)=O
InChIInChI=1S/C7H10N4O3/c1-3-14-6(13)4-11-7(5(2)12)8-9-10-11/h3-4H2,1-2H3
InChIKeyQZQGJKSPAPJDEH-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.56
Rot. Bonds4

About ethyl 2-(5-acetyltetrazol-1-yl)acetate

ethyl 2-(5-acetyltetrazol-1-yl)acetate (PubChem CID 14026753) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl 2-(5-acetyltetrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-acetyltetrazol-1-yl)acetate
PubChem CID14026753
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Nameethyl 2-(5-acetyltetrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nnnc1C(C)=O
InChIInChI=1S/C7H10N4O3/c1-3-14-6(13)4-11-7(5(2)12)8-9-10-11/h3-4H2,1-2H3
InChIKeyQZQGJKSPAPJDEH-UHFFFAOYSA-N
XLogP-0.56
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-acetyltetrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(5-acetyltetrazol-1-yl)acetate (CID 14026753) is ethyl 2-(5-acetyltetrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-acetyltetrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-acetyltetrazol-1-yl)acetate is CCOC(=O)Cn1nnnc1C(C)=O.
What is the InChIKey of ethyl 2-(5-acetyltetrazol-1-yl)acetate?
The InChIKey is QZQGJKSPAPJDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-3-14-6(13)4-11-7(5(2)12)8-9-10-11/h3-4H2,1-2H3.
What are the key properties of ethyl 2-(5-acetyltetrazol-1-yl)acetate?
ethyl 2-(5-acetyltetrazol-1-yl)acetate has a molecular weight of 198.18 g/mol, XLogP of -0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-acetyltetrazol-1-yl)acetate is sourced from PubChem (CID 14026753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).