2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine

C6H11N5O2 — CID 137230126

IUPAC2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine
SMILESC/N=C(\N)NCCc1noc(=O)[nH]1
InChIInChI=1S/C6H11N5O2/c1-8-5(7)9-3-2-4-10-6(12)13-11-4/h2-3H2,1H3,(H3,7,8,9)(H,10,11,12)
InChIKeyNWBBJIACDILUCZ-UHFFFAOYSA-N
MW185.19 g/mol
LogP-1.56
Rot. Bonds3

About 2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine

2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine (PubChem CID 137230126) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine
PubChem CID137230126
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine
SMILESC/N=C(\N)NCCc1noc(=O)[nH]1
InChIInChI=1S/C6H11N5O2/c1-8-5(7)9-3-2-4-10-6(12)13-11-4/h2-3H2,1H3,(H3,7,8,9)(H,10,11,12)
InChIKeyNWBBJIACDILUCZ-UHFFFAOYSA-N
XLogP-1.56
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The IUPAC name of 2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine (CID 137230126) is 2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The canonical SMILES for 2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine is C/N=C(\N)NCCc1noc(=O)[nH]1.
What is the InChIKey of 2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The InChIKey is NWBBJIACDILUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-8-5(7)9-3-2-4-10-6(12)13-11-4/h2-3H2,1H3,(H3,7,8,9)(H,10,11,12).
What are the key properties of 2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine has a molecular weight of 185.19 g/mol, XLogP of -1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 137230126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).