5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride

C4H7ClN4O — CID 135124493

IUPAC5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1noc(C)n1
InChIInChI=1S/C4H6N4O.ClH/c1-2-7-4(3(5)6)8-9-2;/h1H3,(H3,5,6);1H
InChIKeyWCNLNZLAJSUBEF-UHFFFAOYSA-N
MW162.58 g/mol
LogP0.08
Rot. Bonds1

About 5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride

5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride (PubChem CID 135124493) has the molecular formula C4H7ClN4O and a molecular weight of 162.58 g/mol. Its IUPAC name is 5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride
PubChem CID135124493
Molecular FormulaC4H7ClN4O
Molecular Weight162.58 g/mol
Exact Mass162.03
IUPAC Name5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1noc(C)n1
InChIInChI=1S/C4H6N4O.ClH/c1-2-7-4(3(5)6)8-9-2;/h1H3,(H3,5,6);1H
InChIKeyWCNLNZLAJSUBEF-UHFFFAOYSA-N
XLogP0.08
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 50.08
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride?
The IUPAC name of 5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride (CID 135124493) is 5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride.
What is the SMILES notation for 5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride?
The canonical SMILES for 5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1noc(C)n1.
What is the InChIKey of 5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride?
The InChIKey is WCNLNZLAJSUBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O.ClH/c1-2-7-4(3(5)6)8-9-2;/h1H3,(H3,5,6);1H.
What are the key properties of 5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride?
5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride has a molecular weight of 162.58 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,4-oxadiazole-3-carboximidamide;hydrochloride is sourced from PubChem (CID 135124493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).