4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine

C4H3N5O2 — CID 82234748

IUPAC4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1ncno1
InChIInChI=1S/C4H3N5O2/c5-3-2(8-11-9-3)4-6-1-7-10-4/h1H,(H2,5,9)
InChIKeyVIWRJVWFCYILRU-UHFFFAOYSA-N
MW153.10 g/mol
LogP-0.30
Rot. Bonds1

About 4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine

4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 82234748) has the molecular formula C4H3N5O2 and a molecular weight of 153.10 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
PubChem CID82234748
Molecular FormulaC4H3N5O2
Molecular Weight153.10 g/mol
Exact Mass153.03
IUPAC Name4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1ncno1
InChIInChI=1S/C4H3N5O2/c5-3-2(8-11-9-3)4-6-1-7-10-4/h1H,(H2,5,9)
InChIKeyVIWRJVWFCYILRU-UHFFFAOYSA-N
XLogP-0.30
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine (CID 82234748) is 4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1ncno1.
What is the InChIKey of 4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is VIWRJVWFCYILRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5O2/c5-3-2(8-11-9-3)4-6-1-7-10-4/h1H,(H2,5,9).
What are the key properties of 4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 153.10 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 82234748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).