1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine

C5H9N5O2 — CID 106409475

IUPAC1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESN/C(=N\CCc1ncno1)NO
InChIInChI=1S/C5H9N5O2/c6-5(10-11)7-2-1-4-8-3-9-12-4/h3,11H,1-2H2,(H3,6,7,10)
InChIKeyBPBYTVNFTWEBNL-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.09
Rot. Bonds3

About 1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine

1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine (PubChem CID 106409475) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
PubChem CID106409475
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESN/C(=N\CCc1ncno1)NO
InChIInChI=1S/C5H9N5O2/c6-5(10-11)7-2-1-4-8-3-9-12-4/h3,11H,1-2H2,(H3,6,7,10)
InChIKeyBPBYTVNFTWEBNL-UHFFFAOYSA-N
XLogP-1.09
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The IUPAC name of 1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine (CID 106409475) is 1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The canonical SMILES for 1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine is N/C(=N\CCc1ncno1)NO.
What is the InChIKey of 1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The InChIKey is BPBYTVNFTWEBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c6-5(10-11)7-2-1-4-8-3-9-12-4/h3,11H,1-2H2,(H3,6,7,10).
What are the key properties of 1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine has a molecular weight of 171.16 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 106409475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).