ethane;1,3,4-oxadiazol-2-ylmethanamine

C5H11N3O — CID 166458084

IUPACethane;1,3,4-oxadiazol-2-ylmethanamine
SMILESCC.NCc1nnco1
InChIInChI=1S/C3H5N3O.C2H6/c4-1-3-6-5-2-7-3;1-2/h2H,1,4H2;1-2H3
InChIKeyJERRWYPGGWSEJF-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.55
Rot. Bonds1

About ethane;1,3,4-oxadiazol-2-ylmethanamine

ethane;1,3,4-oxadiazol-2-ylmethanamine (PubChem CID 166458084) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is ethane;1,3,4-oxadiazol-2-ylmethanamine.

Molecular Properties

Compound Nameethane;1,3,4-oxadiazol-2-ylmethanamine
PubChem CID166458084
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Nameethane;1,3,4-oxadiazol-2-ylmethanamine
SMILESCC.NCc1nnco1
InChIInChI=1S/C3H5N3O.C2H6/c4-1-3-6-5-2-7-3;1-2/h2H,1,4H2;1-2H3
InChIKeyJERRWYPGGWSEJF-UHFFFAOYSA-N
XLogP0.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4-oxadiazol-2-ylmethanamine?
The IUPAC name of ethane;1,3,4-oxadiazol-2-ylmethanamine (CID 166458084) is ethane;1,3,4-oxadiazol-2-ylmethanamine.
What is the SMILES notation for ethane;1,3,4-oxadiazol-2-ylmethanamine?
The canonical SMILES for ethane;1,3,4-oxadiazol-2-ylmethanamine is CC.NCc1nnco1.
What is the InChIKey of ethane;1,3,4-oxadiazol-2-ylmethanamine?
The InChIKey is JERRWYPGGWSEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O.C2H6/c4-1-3-6-5-2-7-3;1-2/h2H,1,4H2;1-2H3.
What are the key properties of ethane;1,3,4-oxadiazol-2-ylmethanamine?
ethane;1,3,4-oxadiazol-2-ylmethanamine has a molecular weight of 129.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,4-oxadiazol-2-ylmethanamine is sourced from PubChem (CID 166458084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).