N'-(2-methoxyethyl)pyrazine-2-carboximidamide

C8H12N4O — CID 63181726

IUPACN'-(2-methoxyethyl)pyrazine-2-carboximidamide
SMILESCOCC/N=C(\N)c1cnccn1
InChIInChI=1S/C8H12N4O/c1-13-5-4-12-8(9)7-6-10-2-3-11-7/h2-3,6H,4-5H2,1H3,(H2,9,12)
InChIKeyZBDBBBCJTCKCLE-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.17
Rot. Bonds4

About N'-(2-methoxyethyl)pyrazine-2-carboximidamide

N'-(2-methoxyethyl)pyrazine-2-carboximidamide (PubChem CID 63181726) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N'-(2-methoxyethyl)pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)pyrazine-2-carboximidamide
PubChem CID63181726
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN'-(2-methoxyethyl)pyrazine-2-carboximidamide
SMILESCOCC/N=C(\N)c1cnccn1
InChIInChI=1S/C8H12N4O/c1-13-5-4-12-8(9)7-6-10-2-3-11-7/h2-3,6H,4-5H2,1H3,(H2,9,12)
InChIKeyZBDBBBCJTCKCLE-UHFFFAOYSA-N
XLogP-0.17
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N'-(2-morpholin-4-ylethyl)pyrazine-2-carboximidamide
CID 71568915
5-Methylpyrazine-2-carboximidamide
CID 2760055
N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide
CID 11337277
Pyrazine-2-carboximidamide
CID 470896
5-Methoxypyrazine-2-carboximidamide dihydrochloride
CID 145867185
N'-methylpyrazine-2-carboximidamide
CID 63182040
5-Methoxypyrazine-2-carboximidamide
CID 64273852
N'-amino-6-methoxy-pyrazine-2-carboxamidine
CID 71593414
N-cyano-N'-(2-nitroxyethyl)pyrazinecarboximidamide
CID 10331652
2-Amidinopyrazinium hydrochloride
CID 21688998
2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine
CID 62544779
N-ethylpyrazine-2-carboximidamide
CID 63182108

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)pyrazine-2-carboximidamide?
The IUPAC name of N'-(2-methoxyethyl)pyrazine-2-carboximidamide (CID 63181726) is N'-(2-methoxyethyl)pyrazine-2-carboximidamide.
What is the SMILES notation for N'-(2-methoxyethyl)pyrazine-2-carboximidamide?
The canonical SMILES for N'-(2-methoxyethyl)pyrazine-2-carboximidamide is COCC/N=C(\N)c1cnccn1.
What is the InChIKey of N'-(2-methoxyethyl)pyrazine-2-carboximidamide?
The InChIKey is ZBDBBBCJTCKCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-13-5-4-12-8(9)7-6-10-2-3-11-7/h2-3,6H,4-5H2,1H3,(H2,9,12).
What are the key properties of N'-(2-methoxyethyl)pyrazine-2-carboximidamide?
N'-(2-methoxyethyl)pyrazine-2-carboximidamide has a molecular weight of 180.21 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)pyrazine-2-carboximidamide is sourced from PubChem (CID 63181726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).