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

C12H15N5O2 — CID 80915610

IUPAC[4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Oc2cc(C)cc(C)c2)n1
InChIInChI=1S/C12H15N5O2/c1-7-4-8(2)6-9(5-7)19-12-15-10(17-13)14-11(16-12)18-3/h4-6H,13H2,1-3H3,(H,14,15,16,17)
InChIKeyYHMFNWYEIRTGBW-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.57
Rot. Bonds4

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

[4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80915610) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is [4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80915610
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name[4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Oc2cc(C)cc(C)c2)n1
InChIInChI=1S/C12H15N5O2/c1-7-4-8(2)6-9(5-7)19-12-15-10(17-13)14-11(16-12)18-3/h4-6H,13H2,1-3H3,(H,14,15,16,17)
InChIKeyYHMFNWYEIRTGBW-UHFFFAOYSA-N
XLogP1.57
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.57
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-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (CID 80915610) is [4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is COc1nc(NN)nc(Oc2cc(C)cc(C)c2)n1.
What is the InChIKey of [4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is YHMFNWYEIRTGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-4-8(2)6-9(5-7)19-12-15-10(17-13)14-11(16-12)18-3/h4-6H,13H2,1-3H3,(H,14,15,16,17).
What are the key properties of [4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 261.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80915610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).