5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine

C16H13N5O3 — CID 10853353

IUPAC5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine
SMILESCc1cncc(-c2nc(C)cnc2Oc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C16H13N5O3/c1-10-7-17-9-14(19-10)15-16(18-8-11(2)20-15)24-13-5-3-12(4-6-13)21(22)23/h3-9H,1-2H3
InChIKeyNZVFQWJQLJXEPW-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.25
Rot. Bonds4

About 5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine

5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine (PubChem CID 10853353) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine.

Molecular Properties

Compound Name5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine
PubChem CID10853353
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine
SMILESCc1cncc(-c2nc(C)cnc2Oc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C16H13N5O3/c1-10-7-17-9-14(19-10)15-16(18-8-11(2)20-15)24-13-5-3-12(4-6-13)21(22)23/h3-9H,1-2H3
InChIKeyNZVFQWJQLJXEPW-UHFFFAOYSA-N
XLogP3.25
TPSA103.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde
CID 80631386
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882
5-methyl-4-(4-nitrophenoxy)-1H-pyrazole
CID 90298593
5-chloro-3-fluoro-2-(4-nitrophenoxy)pyridine
CID 79728734
2-methyl-5-[(4-nitrophenoxy)methyl]pyrazine
CID 162519984
ethane;3-iodo-4-(4-nitrophenoxy)pyridine
CID 91494066
2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine
CID 122135394
6-methyl-2-(4-nitrophenoxy)imidazo[2,1-b][1,3,4]thiadiazole
CID 47277082
1-methyl-3-(4-nitrophenoxy)benzene
CID 16816
3-(4-nitrophenoxy)pyridazine-4-carboxylic acid
CID 80517221
4-(4-nitrophenoxy)-3-prop-1-ynylpyridine
CID 59853032
5-(4-nitrophenoxy)pyridine-2-carbonitrile
CID 115487944

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine?
The IUPAC name of 5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine (CID 10853353) is 5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine.
What is the SMILES notation for 5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine?
The canonical SMILES for 5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine is Cc1cncc(-c2nc(C)cnc2Oc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine?
The InChIKey is NZVFQWJQLJXEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c1-10-7-17-9-14(19-10)15-16(18-8-11(2)20-15)24-13-5-3-12(4-6-13)21(22)23/h3-9H,1-2H3.
What are the key properties of 5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine?
5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine has a molecular weight of 323.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(6-methylpyrazin-2-yl)-2-(4-nitrophenoxy)pyrazine is sourced from PubChem (CID 10853353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).