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

C12H15N5O4 — CID 80909705

IUPAC[4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1cc(OC)cc(Oc2nc(NN)nc(OC)n2)c1
InChIInChI=1S/C12H15N5O4/c1-18-7-4-8(19-2)6-9(5-7)21-12-15-10(17-13)14-11(16-12)20-3/h4-6H,13H2,1-3H3,(H,14,15,16,17)
InChIKeyWGEWNPCWDFGXNF-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.98
Rot. Bonds6

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

[4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80909705) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is [4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80909705
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name[4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1cc(OC)cc(Oc2nc(NN)nc(OC)n2)c1
InChIInChI=1S/C12H15N5O4/c1-18-7-4-8(19-2)6-9(5-7)21-12-15-10(17-13)14-11(16-12)20-3/h4-6H,13H2,1-3H3,(H,14,15,16,17)
InChIKeyWGEWNPCWDFGXNF-UHFFFAOYSA-N
XLogP0.98
TPSA113.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (CID 80909705) is [4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is COc1cc(OC)cc(Oc2nc(NN)nc(OC)n2)c1.
What is the InChIKey of [4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is WGEWNPCWDFGXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-18-7-4-8(19-2)6-9(5-7)21-12-15-10(17-13)14-11(16-12)20-3/h4-6H,13H2,1-3H3,(H,14,15,16,17).
What are the key properties of [4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 293.28 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80909705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).