N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine

C12H12N4O2 — CID 112559321

IUPACN-ethyl-3-(4-nitrophenyl)pyrazin-2-amine
SMILESCCNc1nccnc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H12N4O2/c1-2-13-12-11(14-7-8-15-12)9-3-5-10(6-4-9)16(17)18/h3-8H,2H2,1H3,(H,13,15)
InChIKeyZZYSQFZKDOGXSH-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.48
Rot. Bonds4

About N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine

N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine (PubChem CID 112559321) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-nitrophenyl)pyrazin-2-amine
PubChem CID112559321
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-ethyl-3-(4-nitrophenyl)pyrazin-2-amine
SMILESCCNc1nccnc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H12N4O2/c1-2-13-12-11(14-7-8-15-12)9-3-5-10(6-4-9)16(17)18/h3-8H,2H2,1H3,(H,13,15)
InChIKeyZZYSQFZKDOGXSH-UHFFFAOYSA-N
XLogP2.48
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[3-(4-nitrophenyl)pyrazin-2-yl]hydrazine
CID 112559568
2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine
CID 130328210
N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine
CID 62192376
N-[1-(2,4-dimethylphenyl)ethyl]-3-(4-nitrophenyl)pyrazin-2-amine
CID 130297376
2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine
CID 126530724
N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline
CID 142912922
N-ethyl-3-(2-ethylphenyl)pyrazin-2-amine
CID 112559277
N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine
CID 62466385
2-(2-fluoro-4-methylphenyl)-3-(4-nitrophenyl)pyrazine
CID 126561368
ethanol;1,2,3,4,5,6-hexakis(4-nitrophenyl)benzene
CID 139036987
4-[3-(4-nitrophenyl)pyrazin-2-yl]naphthalen-1-amine
CID 69408395
1-ethyl-4-(4-nitrophenyl)pyridin-1-ium
CID 142406755

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine?
The IUPAC name of N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine (CID 112559321) is N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine?
The canonical SMILES for N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine is CCNc1nccnc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine?
The InChIKey is ZZYSQFZKDOGXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-2-13-12-11(14-7-8-15-12)9-3-5-10(6-4-9)16(17)18/h3-8H,2H2,1H3,(H,13,15).
What are the key properties of N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine?
N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine has a molecular weight of 244.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine is sourced from PubChem (CID 112559321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).