[4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine

C11H13N5O2 — CID 80917593

IUPAC[4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Oc2ccc(C)cc2)n1
InChIInChI=1S/C11H13N5O2/c1-7-3-5-8(6-4-7)18-11-14-9(16-12)13-10(15-11)17-2/h3-6H,12H2,1-2H3,(H,13,14,15,16)
InChIKeyTUHFWUWZDGJDAQ-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.27
Rot. Bonds4

About [4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine

[4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80917593) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is [4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80917593
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name[4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Oc2ccc(C)cc2)n1
InChIInChI=1S/C11H13N5O2/c1-7-3-5-8(6-4-7)18-11-14-9(16-12)13-10(15-11)17-2/h3-6H,12H2,1-2H3,(H,13,14,15,16)
InChIKeyTUHFWUWZDGJDAQ-UHFFFAOYSA-N
XLogP1.27
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 [4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine (CID 80917593) is [4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine is COc1nc(NN)nc(Oc2ccc(C)cc2)n1.
What is the InChIKey of [4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is TUHFWUWZDGJDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7-3-5-8(6-4-7)18-11-14-9(16-12)13-10(15-11)17-2/h3-6H,12H2,1-2H3,(H,13,14,15,16).
What are the key properties of [4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine?
[4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 247.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80917593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).