N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide

C10H18N6O2 — CID 137047037

IUPACN'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESCN1CCC(CNc2nonc2C(N)=NO)CC1
InChIInChI=1S/C10H18N6O2/c1-16-4-2-7(3-5-16)6-12-10-8(9(11)13-17)14-18-15-10/h7,17H,2-6H2,1H3,(H2,11,13)(H,12,15)
InChIKeyZDKPIJLEBYEAMC-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.08
Rot. Bonds4

About N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide

N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 137047037) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID137047037
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC NameN'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESCN1CCC(CNc2nonc2C(N)=NO)CC1
InChIInChI=1S/C10H18N6O2/c1-16-4-2-7(3-5-16)6-12-10-8(9(11)13-17)14-18-15-10/h7,17H,2-6H2,1H3,(H2,11,13)(H,12,15)
InChIKeyZDKPIJLEBYEAMC-UHFFFAOYSA-N
XLogP-0.08
TPSA112.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

Analyze N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide (CID 137047037) is N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide is CN1CCC(CNc2nonc2C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is ZDKPIJLEBYEAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-16-4-2-7(3-5-16)6-12-10-8(9(11)13-17)14-18-15-10/h7,17H,2-6H2,1H3,(H2,11,13)(H,12,15).
What are the key properties of N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide?
N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 254.29 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(1-methylpiperidin-4-yl)methylamino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 137047037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).