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

C8H13N5O — CID 62543670

IUPACN-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide
SMILESCOCC/N=C(\NN)c1cnccn1
InChIInChI=1S/C8H13N5O/c1-14-5-4-12-8(13-9)7-6-10-2-3-11-7/h2-3,6H,4-5,9H2,1H3,(H,12,13)
InChIKeyZCTQPQLSAMDFLO-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.67
Rot. Bonds4

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

N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide (PubChem CID 62543670) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide
PubChem CID62543670
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC NameN-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide
SMILESCOCC/N=C(\NN)c1cnccn1
InChIInChI=1S/C8H13N5O/c1-14-5-4-12-8(13-9)7-6-10-2-3-11-7/h2-3,6H,4-5,9H2,1H3,(H,12,13)
InChIKeyZCTQPQLSAMDFLO-UHFFFAOYSA-N
XLogP-0.67
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide?
The IUPAC name of N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide (CID 62543670) is N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide.
What is the SMILES notation for N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide?
The canonical SMILES for N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide is COCC/N=C(\NN)c1cnccn1.
What is the InChIKey of N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide?
The InChIKey is ZCTQPQLSAMDFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-14-5-4-12-8(13-9)7-6-10-2-3-11-7/h2-3,6H,4-5,9H2,1H3,(H,12,13).
What are the key properties of N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide?
N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide has a molecular weight of 195.23 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide is sourced from PubChem (CID 62543670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).