N-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide

C12H15N5O — CID 62876430

IUPACN-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide
SMILESCOCC/N=C(\NN)c1ccc2nccnc2c1
InChIInChI=1S/C12H15N5O/c1-18-7-6-16-12(17-13)9-2-3-10-11(8-9)15-5-4-14-10/h2-5,8H,6-7,13H2,1H3,(H,16,17)
InChIKeyRREPVWQYGOQGAI-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.49
Rot. Bonds4

About N-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide

N-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide (PubChem CID 62876430) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide
PubChem CID62876430
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide
SMILESCOCC/N=C(\NN)c1ccc2nccnc2c1
InChIInChI=1S/C12H15N5O/c1-18-7-6-16-12(17-13)9-2-3-10-11(8-9)15-5-4-14-10/h2-5,8H,6-7,13H2,1H3,(H,16,17)
InChIKeyRREPVWQYGOQGAI-UHFFFAOYSA-N
XLogP0.49
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.49
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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Related Compounds

N-amino-N'-(2-methoxyethyl)-2-methylpyridine-4-carboximidamide
CID 106754086
N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide
CID 62543670
N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
CID 62543831
N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62543676
N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
CID 62543990
N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62542671
N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
CID 103712673
methyl 2-iodo-3-(quinoxaline-6-carbonylamino)propanoate
CID 103493378
N-amino-4-bromo-2-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62544317
N-(2-methylpropoxy)quinoxaline-6-carboxamide
CID 113304462
N-amino-N'-methylquinoline-6-carboximidamide
CID 62874070
(Z)-2-hydrazinyl-1-quinoxalin-6-ylethenamine
CID 171503793

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide?
The IUPAC name of N-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide (CID 62876430) is N-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide.
What is the SMILES notation for N-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide?
The canonical SMILES for N-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide is COCC/N=C(\NN)c1ccc2nccnc2c1.
What is the InChIKey of N-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide?
The InChIKey is RREPVWQYGOQGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-18-7-6-16-12(17-13)9-2-3-10-11(8-9)15-5-4-14-10/h2-5,8H,6-7,13H2,1H3,(H,16,17).
What are the key properties of N-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide?
N-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide has a molecular weight of 245.29 g/mol, XLogP of 0.49, 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)quinoxaline-6-carboximidamide is sourced from PubChem (CID 62876430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).