N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide

C12H20N6O2 — CID 114570765

IUPACN'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide
SMILESCC(C)(/C(N)=N/O)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C12H20N6O2/c1-12(2,11(13)16-20)18-7-5-17(6-8-18)9-10(19)15-4-3-14-9/h3-4,20H,5-8H2,1-2H3,(H2,13,16)(H,15,19)
InChIKeyDASBILISWIFOIK-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.58
Rot. Bonds3

About N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide (PubChem CID 114570765) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide
PubChem CID114570765
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC NameN'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide
SMILESCC(C)(/C(N)=N/O)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C12H20N6O2/c1-12(2,11(13)16-20)18-7-5-17(6-8-18)9-10(19)15-4-3-14-9/h3-4,20H,5-8H2,1-2H3,(H2,13,16)(H,15,19)
InChIKeyDASBILISWIFOIK-UHFFFAOYSA-N
XLogP-0.58
TPSA110.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
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'}

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Related Compounds

N'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide
CID 77012304
3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one
CID 114571063
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one
CID 115684957
3-(4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650167
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrazin-2-one
CID 115650168
1-(2-oxo-1H-pyrazin-3-yl)-1,4-diazepan-5-one
CID 115657445
ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
CID 115650147
3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
CID 115650237
N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide
CID 115981994
3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
CID 129394339
3-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrazin-2-one
CID 106838734
3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one
CID 114571125

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide (CID 114570765) is N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide is CC(C)(/C(N)=N/O)N1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide?
The InChIKey is DASBILISWIFOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-12(2,11(13)16-20)18-7-5-17(6-8-18)9-10(19)15-4-3-14-9/h3-4,20H,5-8H2,1-2H3,(H2,13,16)(H,15,19).
What are the key properties of N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide has a molecular weight of 280.33 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 114570765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).