3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide

C11H19N5O — CID 55227879

IUPAC3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(CC)CCOCC
InChIInChI=1S/C11H19N5O/c1-3-16(7-8-17-4-2)11-9(10(12)13)14-5-6-15-11/h5-6H,3-4,7-8H2,1-2H3,(H3,12,13)
InChIKeyHJPQLVXHIPJKCC-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.62
Rot. Bonds7

About 3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide

3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide (PubChem CID 55227879) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide
PubChem CID55227879
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(CC)CCOCC
InChIInChI=1S/C11H19N5O/c1-3-16(7-8-17-4-2)11-9(10(12)13)14-5-6-15-11/h5-6H,3-4,7-8H2,1-2H3,(H3,12,13)
InChIKeyHJPQLVXHIPJKCC-UHFFFAOYSA-N
XLogP0.62
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboximidamide
CID 55227687
2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide
CID 107060364
3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide
CID 62684039
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine
CID 63697339
3-[bis(2-ethoxyethyl)amino]pyrazine-2-carboxylic acid
CID 82960478
2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 63697557
3-[ethyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684545
3-[butyl(methyl)amino]pyrazine-2-carboximidamide
CID 62684705
3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide
CID 81056507
3-ethoxypyrazine-2-carboximidamide
CID 62685584
3-[1-(dimethylamino)propan-2-yl-ethylamino]pyrazine-2-carboximidamide
CID 103189183
3-[bis(2-ethoxyethyl)amino]pyridine-2-carbothioamide
CID 82965009

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide?
The IUPAC name of 3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide (CID 55227879) is 3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N(CC)CCOCC.
What is the InChIKey of 3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide?
The InChIKey is HJPQLVXHIPJKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-16(7-8-17-4-2)11-9(10(12)13)14-5-6-15-11/h5-6H,3-4,7-8H2,1-2H3,(H3,12,13).
What are the key properties of 3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide?
3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide has a molecular weight of 237.31 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 55227879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).