6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine

C11H10N4O3 — CID 113369611

IUPAC6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine
SMILESCc1cc([N+](=O)[O-])ccc1Oc1cncc(N)n1
InChIInChI=1S/C11H10N4O3/c1-7-4-8(15(16)17)2-3-9(7)18-11-6-13-5-10(12)14-11/h2-6H,1H3,(H2,12,14)
InChIKeyPLBAIJJQOUIDKH-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.07
Rot. Bonds3

About 6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine

6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine (PubChem CID 113369611) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine
PubChem CID113369611
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine
SMILESCc1cc([N+](=O)[O-])ccc1Oc1cncc(N)n1
InChIInChI=1S/C11H10N4O3/c1-7-4-8(15(16)17)2-3-9(7)18-11-6-13-5-10(12)14-11/h2-6H,1H3,(H2,12,14)
InChIKeyPLBAIJJQOUIDKH-UHFFFAOYSA-N
XLogP2.07
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.07
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

3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine
CID 102761149
2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine
CID 62111115
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136
6-(2-fluoro-4-nitrophenoxy)pyridin-2-amine
CID 80653072
2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine
CID 116797824
6-(2-methyl-4-nitrophenoxy)-7H-purin-2-amine
CID 114788030
2-(4-chloro-2-methylphenoxy)-5-nitroaniline
CID 62508306
1-(2-methyl-4-nitrophenoxy)naphthalene
CID 13245951
6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine
CID 80647936
2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
CID 155663614
N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine
CID 167459315
methyl 6-(2-chloro-5-nitrophenoxy)pyrazine-2-carboxylate
CID 66457111

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine?
The IUPAC name of 6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine (CID 113369611) is 6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine.
What is the SMILES notation for 6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine?
The canonical SMILES for 6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine is Cc1cc([N+](=O)[O-])ccc1Oc1cncc(N)n1.
What is the InChIKey of 6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine?
The InChIKey is PLBAIJJQOUIDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-7-4-8(15(16)17)2-3-9(7)18-11-6-13-5-10(12)14-11/h2-6H,1H3,(H2,12,14).
What are the key properties of 6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine?
6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine has a molecular weight of 246.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine is sourced from PubChem (CID 113369611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).