N'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide

C4H6N4O2 — CID 537701

IUPACN'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide
SMILESCc1nc(C(N)=NO)no1
InChIInChI=1S/C4H6N4O2/c1-2-6-4(8-10-2)3(5)7-9/h9H,1H3,(H2,5,7)
InChIKeyQGZYQAUPWRSUGV-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.53
Rot. Bonds1

About N'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide

N'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide (PubChem CID 537701) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide
PubChem CID537701
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC NameN'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide
SMILESCc1nc(C(N)=NO)no1
InChIInChI=1S/C4H6N4O2/c1-2-6-4(8-10-2)3(5)7-9/h9H,1H3,(H2,5,7)
InChIKeyQGZYQAUPWRSUGV-UHFFFAOYSA-N
XLogP-0.53
TPSA97.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
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': 'oxime_1', '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 N'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide (CID 537701) is N'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide is Cc1nc(C(N)=NO)no1.
What is the InChIKey of N'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide?
The InChIKey is QGZYQAUPWRSUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-2-6-4(8-10-2)3(5)7-9/h9H,1H3,(H2,5,7).
What are the key properties of N'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide?
N'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide has a molecular weight of 142.12 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-1,2,4-oxadiazole-3-carboximidamide is sourced from PubChem (CID 537701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).