N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide

C11H18N4O4 — CID 136816582

IUPACN'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide
SMILESCOCCOCCCOc1nccnc1C(N)=NO
InChIInChI=1S/C11H18N4O4/c1-17-7-8-18-5-2-6-19-11-9(10(12)15-16)13-3-4-14-11/h3-4,16H,2,5-8H2,1H3,(H2,12,15)
InChIKeyNZHPXPDONAMXRO-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.00
Rot. Bonds9

About N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide

N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide (PubChem CID 136816582) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide
PubChem CID136816582
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC NameN'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide
SMILESCOCCOCCCOc1nccnc1C(N)=NO
InChIInChI=1S/C11H18N4O4/c1-17-7-8-18-5-2-6-19-11-9(10(12)15-16)13-3-4-14-11/h3-4,16H,2,5-8H2,1H3,(H2,12,15)
InChIKeyNZHPXPDONAMXRO-UHFFFAOYSA-N
XLogP0.00
TPSA112.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carbothioamide
CID 103402515
N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4-methylpyridine-3-carboximidamide
CID 104562166
4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738
2-N',3-N'-dihydroxypyrazine-2,3-dicarboximidamide
CID 135525948
N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562174
N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide
CID 107930270
methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate
CID 141103984
N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177799
N'-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 136867043
2-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbothioamide
CID 103177659
N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide
CID 137000488
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide (CID 136816582) is N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide is COCCOCCCOc1nccnc1C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide?
The InChIKey is NZHPXPDONAMXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-17-7-8-18-5-2-6-19-11-9(10(12)15-16)13-3-4-14-11/h3-4,16H,2,5-8H2,1H3,(H2,12,15).
What are the key properties of N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide?
N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide has a molecular weight of 270.29 g/mol, XLogP of 0.00, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide is sourced from PubChem (CID 136816582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).