N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine

C13H14N4O3 — CID 80870463

IUPACN-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine
SMILESCCNc1cncc(Oc2ccc([N+](=O)[O-])c(C)c2)n1
InChIInChI=1S/C13H14N4O3/c1-3-15-12-7-14-8-13(16-12)20-10-4-5-11(17(18)19)9(2)6-10/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyUIEMGNUYISJELP-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.92
Rot. Bonds5

About N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine

N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine (PubChem CID 80870463) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine
PubChem CID80870463
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine
SMILESCCNc1cncc(Oc2ccc([N+](=O)[O-])c(C)c2)n1
InChIInChI=1S/C13H14N4O3/c1-3-15-12-7-14-8-13(16-12)20-10-4-5-11(17(18)19)9(2)6-10/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyUIEMGNUYISJELP-UHFFFAOYSA-N
XLogP2.92
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-6-(4-methoxy-2-nitrophenoxy)pyrazin-2-amine
CID 78989587
methyl 6-(3-methyl-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66457692
N-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrazin-2-amine
CID 80871590
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine
CID 80877912
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine
CID 107171732
6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine
CID 80875626
[6-(5-methyl-2-nitrophenoxy)pyrazin-2-yl]hydrazine
CID 80920526
N-ethyl-6-(2,3,5-trimethylphenoxy)pyrazin-2-amine
CID 80881852
5-(3-methyl-4-nitrophenoxy)pyridin-3-amine
CID 104536614
3-(3-methyl-4-nitrophenoxy)pyridine
CID 19042898
N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
CID 80869251
5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 63851888

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine?
The IUPAC name of N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine (CID 80870463) is N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine?
The canonical SMILES for N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine is CCNc1cncc(Oc2ccc([N+](=O)[O-])c(C)c2)n1.
What is the InChIKey of N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine?
The InChIKey is UIEMGNUYISJELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-3-15-12-7-14-8-13(16-12)20-10-4-5-11(17(18)19)9(2)6-10/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine?
N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine has a molecular weight of 274.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine is sourced from PubChem (CID 80870463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).