2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol

C14H15ClN4O2 — CID 135504514

IUPAC2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/Nc2nccnc2Cl)c(O)c1
InChIInChI=1S/C14H15ClN4O2/c1-2-7-21-11-4-3-10(12(20)8-11)9-18-19-14-13(15)16-5-6-17-14/h3-6,8-9,20H,2,7H2,1H3,(H,17,19)/b18-9+
InChIKeyCYOXGUPVBPNSGM-GIJQJNRQSA-N
MW306.75 g/mol
LogP3.07
Rot. Bonds6

About 2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol

2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol (PubChem CID 135504514) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol
PubChem CID135504514
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/Nc2nccnc2Cl)c(O)c1
InChIInChI=1S/C14H15ClN4O2/c1-2-7-21-11-4-3-10(12(20)8-11)9-18-19-14-13(15)16-5-6-17-14/h3-6,8-9,20H,2,7H2,1H3,(H,17,19)/b18-9+
InChIKeyCYOXGUPVBPNSGM-GIJQJNRQSA-N
XLogP3.07
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol?
The IUPAC name of 2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol (CID 135504514) is 2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol.
What is the SMILES notation for 2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol?
The canonical SMILES for 2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol is CCCOc1ccc(/C=N/Nc2nccnc2Cl)c(O)c1.
What is the InChIKey of 2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol?
The InChIKey is CYOXGUPVBPNSGM-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-2-7-21-11-4-3-10(12(20)8-11)9-18-19-14-13(15)16-5-6-17-14/h3-6,8-9,20H,2,7H2,1H3,(H,17,19)/b18-9+.
What are the key properties of 2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol?
2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol has a molecular weight of 306.75 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol is sourced from PubChem (CID 135504514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).