N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide

C13H21N5O3 — CID 79670685

IUPACN'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide
SMILESCC(C)Cn1ccnc(N2CCOC(C(N)=NO)C2)c1=O
InChIInChI=1S/C13H21N5O3/c1-9(2)7-18-4-3-15-12(13(18)19)17-5-6-21-10(8-17)11(14)16-20/h3-4,9-10,20H,5-8H2,1-2H3,(H2,14,16)
InChIKeyOUJBSTRJVSXROG-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.15
Rot. Bonds4

About N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide

N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide (PubChem CID 79670685) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide
PubChem CID79670685
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide
SMILESCC(C)Cn1ccnc(N2CCOC(C(N)=NO)C2)c1=O
InChIInChI=1S/C13H21N5O3/c1-9(2)7-18-4-3-15-12(13(18)19)17-5-6-21-10(8-17)11(14)16-20/h3-4,9-10,20H,5-8H2,1-2H3,(H2,14,16)
InChIKeyOUJBSTRJVSXROG-UHFFFAOYSA-N
XLogP-0.15
TPSA105.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 63721569
3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63853331
3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one
CID 107407490
3-[3-(chloromethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 55184247
3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 102937175
methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate
CID 115538473
3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63852836
3-[2-(chloromethyl)-5-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 81209983
N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide
CID 79680518
4-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N'-hydroxymorpholine-2-carboximidamide
CID 136990223
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 82685587
N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide
CID 79681250

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide (CID 79670685) is N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide is CC(C)Cn1ccnc(N2CCOC(C(N)=NO)C2)c1=O.
What is the InChIKey of N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide?
The InChIKey is OUJBSTRJVSXROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9(2)7-18-4-3-15-12(13(18)19)17-5-6-21-10(8-17)11(14)16-20/h3-4,9-10,20H,5-8H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide?
N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide has a molecular weight of 295.34 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide is sourced from PubChem (CID 79670685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).