N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide

C12H21N5O2 — CID 76981212

IUPACN'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide
SMILESCC(CN(C)c1nccn(C(C)C)c1=O)C(N)=NO
InChIInChI=1S/C12H21N5O2/c1-8(2)17-6-5-14-11(12(17)18)16(4)7-9(3)10(13)15-19/h5-6,8-9,19H,7H2,1-4H3,(H2,13,15)
InChIKeyVYMIRIOBCKXLIP-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.64
Rot. Bonds5

About N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide

N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide (PubChem CID 76981212) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide
PubChem CID76981212
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide
SMILESCC(CN(C)c1nccn(C(C)C)c1=O)C(N)=NO
InChIInChI=1S/C12H21N5O2/c1-8(2)17-6-5-14-11(12(17)18)16(4)7-9(3)10(13)15-19/h5-6,8-9,19H,7H2,1-4H3,(H2,13,15)
InChIKeyVYMIRIOBCKXLIP-UHFFFAOYSA-N
XLogP0.64
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide 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-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide (CID 76981212) is N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide is CC(CN(C)c1nccn(C(C)C)c1=O)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide?
The InChIKey is VYMIRIOBCKXLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-8(2)17-6-5-14-11(12(17)18)16(4)7-9(3)10(13)15-19/h5-6,8-9,19H,7H2,1-4H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide has a molecular weight of 267.33 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide is sourced from PubChem (CID 76981212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).