2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine

C7H13N5O — CID 65328376

IUPAC2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1C1CCCO1
InChIInChI=1S/C7H13N5O/c8-3-4-12-7(9-10-11-12)6-2-1-5-13-6/h6H,1-5,8H2
InChIKeyAOYQAAMXWFBKPT-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.52
Rot. Bonds3

About 2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine

2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine (PubChem CID 65328376) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine
PubChem CID65328376
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1C1CCCO1
InChIInChI=1S/C7H13N5O/c8-3-4-12-7(9-10-11-12)6-2-1-5-13-6/h6H,1-5,8H2
InChIKeyAOYQAAMXWFBKPT-UHFFFAOYSA-N
XLogP-0.52
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine (CID 65328376) is 2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine is NCCn1nnnc1C1CCCO1.
What is the InChIKey of 2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine?
The InChIKey is AOYQAAMXWFBKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c8-3-4-12-7(9-10-11-12)6-2-1-5-13-6/h6H,1-5,8H2.
What are the key properties of 2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine?
2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine has a molecular weight of 183.21 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxolan-2-yl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 65328376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).