propyl 2-(tetrazol-1-yl)acetate

C6H10N4O2 — CID 45082759

IUPACpropyl 2-(tetrazol-1-yl)acetate
SMILESCCCOC(=O)Cn1cnnn1
InChIInChI=1S/C6H10N4O2/c1-2-3-12-6(11)4-10-5-7-8-9-10/h5H,2-4H2,1H3
InChIKeyCVAFXQQJLJZMIJ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.37
Rot. Bonds4

About propyl 2-(tetrazol-1-yl)acetate

propyl 2-(tetrazol-1-yl)acetate (PubChem CID 45082759) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is propyl 2-(tetrazol-1-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(tetrazol-1-yl)acetate
PubChem CID45082759
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Namepropyl 2-(tetrazol-1-yl)acetate
SMILESCCCOC(=O)Cn1cnnn1
InChIInChI=1S/C6H10N4O2/c1-2-3-12-6(11)4-10-5-7-8-9-10/h5H,2-4H2,1H3
InChIKeyCVAFXQQJLJZMIJ-UHFFFAOYSA-N
XLogP-0.37
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(tetrazol-1-yl)acetate?
The IUPAC name of propyl 2-(tetrazol-1-yl)acetate (CID 45082759) is propyl 2-(tetrazol-1-yl)acetate.
What is the SMILES notation for propyl 2-(tetrazol-1-yl)acetate?
The canonical SMILES for propyl 2-(tetrazol-1-yl)acetate is CCCOC(=O)Cn1cnnn1.
What is the InChIKey of propyl 2-(tetrazol-1-yl)acetate?
The InChIKey is CVAFXQQJLJZMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-2-3-12-6(11)4-10-5-7-8-9-10/h5H,2-4H2,1H3.
What are the key properties of propyl 2-(tetrazol-1-yl)acetate?
propyl 2-(tetrazol-1-yl)acetate has a molecular weight of 170.17 g/mol, XLogP of -0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(tetrazol-1-yl)acetate is sourced from PubChem (CID 45082759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).