N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide

C12H20N6O — CID 136827557

IUPACN'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide
SMILESCC1CN(c2cnc(C(N)=NO)cn2)CC(C)N1C
InChIInChI=1S/C12H20N6O/c1-8-6-18(7-9(2)17(8)3)11-5-14-10(4-15-11)12(13)16-19/h4-5,8-9,19H,6-7H2,1-3H3,(H2,13,16)
InChIKeyQSGMWURXJSXJHM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.10
Rot. Bonds2

About N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide

N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide (PubChem CID 136827557) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide
PubChem CID136827557
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC NameN'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide
SMILESCC1CN(c2cnc(C(N)=NO)cn2)CC(C)N1C
InChIInChI=1S/C12H20N6O/c1-8-6-18(7-9(2)17(8)3)11-5-14-10(4-15-11)12(13)16-19/h4-5,8-9,19H,6-7H2,1-3H3,(H2,13,16)
InChIKeyQSGMWURXJSXJHM-UHFFFAOYSA-N
XLogP0.10
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.10
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'}

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Related Compounds

N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide
CID 136749153
N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide
CID 136960068
6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 114537374
5-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136766533
N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 114538150
N'-hydroxy-6-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carboximidamide
CID 76929782
N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide
CID 136990599
N'-hydroxy-4-(3,4,5-trimethylpiperazine-1-carbonyl)benzenecarboximidamide
CID 114539189
N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 114538637
2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine
CID 114543057
N'-hydroxy-6-(2-methylmorpholin-4-yl)pyridine-3-carboximidamide
CID 24693054
5-(3-propan-2-ylpyrrolidin-1-yl)pyrazine-2-carbothioamide
CID 113417506

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide (CID 136827557) is N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide is CC1CN(c2cnc(C(N)=NO)cn2)CC(C)N1C.
What is the InChIKey of N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide?
The InChIKey is QSGMWURXJSXJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-8-6-18(7-9(2)17(8)3)11-5-14-10(4-15-11)12(13)16-19/h4-5,8-9,19H,6-7H2,1-3H3,(H2,13,16).
What are the key properties of N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide?
N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide has a molecular weight of 264.33 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pyrazine-2-carboximidamide is sourced from PubChem (CID 136827557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).