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

C6H12N6O — CID 106419327

IUPAC1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
SMILESCc1nc(CC/N=C(\N)NN)no1
InChIInChI=1S/C6H12N6O/c1-4-10-5(12-13-4)2-3-9-6(7)11-8/h2-3,8H2,1H3,(H3,7,9,11)
InChIKeyPQNIRJSDCDLRSC-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.30
Rot. Bonds3

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

1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine (PubChem CID 106419327) has the molecular formula C6H12N6O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
PubChem CID106419327
Molecular FormulaC6H12N6O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
SMILESCc1nc(CC/N=C(\N)NN)no1
InChIInChI=1S/C6H12N6O/c1-4-10-5(12-13-4)2-3-9-6(7)11-8/h2-3,8H2,1H3,(H3,7,9,11)
InChIKeyPQNIRJSDCDLRSC-UHFFFAOYSA-N
XLogP-1.30
TPSA115.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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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Related Compounds

1-amino-3-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 106412582
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine
CID 103734481
N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide
CID 106423305
1,3-diethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111465113
1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 119147857
1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 111814164
1-amino-2-[2-[[amino(hydrazinyl)methylidene]amino]ethyl]guanidine
CID 55279146
ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 143984808
ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 103714527
N'-hydroxy-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanimidamide
CID 106418352
4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 83872807
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine
CID 106416031

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The IUPAC name of 1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine (CID 106419327) is 1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine is Cc1nc(CC/N=C(\N)NN)no1.
What is the InChIKey of 1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The InChIKey is PQNIRJSDCDLRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O/c1-4-10-5(12-13-4)2-3-9-6(7)11-8/h2-3,8H2,1H3,(H3,7,9,11).
What are the key properties of 1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine has a molecular weight of 184.20 g/mol, XLogP of -1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 106419327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).