6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide

C15H18N4O2 — CID 167450940

IUPAC6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide
SMILESCCOc1ccc(-c2nc(C(=O)NN)cnc2CC)cc1
InChIInChI=1S/C15H18N4O2/c1-3-12-14(18-13(9-17-12)15(20)19-16)10-5-7-11(8-6-10)21-4-2/h5-9H,3-4,16H2,1-2H3,(H,19,20)
InChIKeyTXLDTARCGGZMRC-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.71
Rot. Bonds5

About 6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide

6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide (PubChem CID 167450940) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide
PubChem CID167450940
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide
SMILESCCOc1ccc(-c2nc(C(=O)NN)cnc2CC)cc1
InChIInChI=1S/C15H18N4O2/c1-3-12-14(18-13(9-17-12)15(20)19-16)10-5-7-11(8-6-10)21-4-2/h5-9H,3-4,16H2,1-2H3,(H,19,20)
InChIKeyTXLDTARCGGZMRC-UHFFFAOYSA-N
XLogP1.71
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide?
The IUPAC name of 6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide (CID 167450940) is 6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide.
What is the SMILES notation for 6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide?
The canonical SMILES for 6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide is CCOc1ccc(-c2nc(C(=O)NN)cnc2CC)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide?
The InChIKey is TXLDTARCGGZMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-12-14(18-13(9-17-12)15(20)19-16)10-5-7-11(8-6-10)21-4-2/h5-9H,3-4,16H2,1-2H3,(H,19,20).
What are the key properties of 6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide?
6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide has a molecular weight of 286.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-5-ethylpyrazine-2-carbohydrazide is sourced from PubChem (CID 167450940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).