N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide

C9H15N5O2 — CID 114570754

IUPACN'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide
SMILESCC(CN(C)c1ncc[nH]c1=O)/C(N)=N/O
InChIInChI=1S/C9H15N5O2/c1-6(7(10)13-16)5-14(2)8-9(15)12-4-3-11-8/h3-4,6,16H,5H2,1-2H3,(H2,10,13)(H,12,15)
InChIKeyGUJWAOJPWNFWRP-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.41
Rot. Bonds4

About N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide

N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide (PubChem CID 114570754) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide
PubChem CID114570754
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide
SMILESCC(CN(C)c1ncc[nH]c1=O)/C(N)=N/O
InChIInChI=1S/C9H15N5O2/c1-6(7(10)13-16)5-14(2)8-9(15)12-4-3-11-8/h3-4,6,16H,5H2,1-2H3,(H2,10,13)(H,12,15)
InChIKeyGUJWAOJPWNFWRP-UHFFFAOYSA-N
XLogP-0.41
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
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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Related Compounds

N'-hydroxy-2-methyl-3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanimidamide
CID 76981212
3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 55155638
3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one
CID 114570348
N'-hydroxy-3-[(7-hydroxyisoquinolin-1-yl)-methylamino]-2-methylpropanimidamide
CID 106537045
3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one
CID 114570606
3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one
CID 114571498
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 103958277
3-[2-methoxyethyl(methyl)amino]-1H-pyrazin-2-one
CID 115657141
3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one
CID 114570641
4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide
CID 54992228
3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76950514
3-[(4-aminophenyl)methyl-methylamino]-1H-pyrazin-2-one
CID 114571079

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide (CID 114570754) is N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide is CC(CN(C)c1ncc[nH]c1=O)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide?
The InChIKey is GUJWAOJPWNFWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-6(7(10)13-16)5-14(2)8-9(15)12-4-3-11-8/h3-4,6,16H,5H2,1-2H3,(H2,10,13)(H,12,15).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide has a molecular weight of 225.25 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide is sourced from PubChem (CID 114570754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).