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

C6H11N5O — CID 103743963

IUPAC2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESC/N=C(\N)NCCc1ncno1
InChIInChI=1S/C6H11N5O/c1-8-6(7)9-3-2-5-10-4-11-12-5/h4H,2-3H2,1H3,(H3,7,8,9)
InChIKeyWACNSBXNGIXVLY-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.85
Rot. Bonds3

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

2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine (PubChem CID 103743963) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
PubChem CID103743963
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESC/N=C(\N)NCCc1ncno1
InChIInChI=1S/C6H11N5O/c1-8-6(7)9-3-2-5-10-4-11-12-5/h4H,2-3H2,1H3,(H3,7,8,9)
InChIKeyWACNSBXNGIXVLY-UHFFFAOYSA-N
XLogP-0.85
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
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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Related Compounds

5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahydro-pyrimidine; TFA
CID 9838581
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
5-(2-Aminoethyl)-1,2,4-oxadiazol-3-amine
CID 54595504
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione
CID 91248085
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103744177
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399628
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106399666
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106399702

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The IUPAC name of 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine (CID 103743963) is 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The canonical SMILES for 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine is C/N=C(\N)NCCc1ncno1.
What is the InChIKey of 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The InChIKey is WACNSBXNGIXVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-8-6(7)9-3-2-5-10-4-11-12-5/h4H,2-3H2,1H3,(H3,7,8,9).
What are the key properties of 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine has a molecular weight of 169.19 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 103743963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).