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

C12H15N5O3 — CID 80930359

IUPAC[4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1cccc(Oc2nc(NN)nc(OC)n2)c1
InChIInChI=1S/C12H15N5O3/c1-3-19-8-5-4-6-9(7-8)20-12-15-10(17-13)14-11(16-12)18-2/h4-7H,3,13H2,1-2H3,(H,14,15,16,17)
InChIKeyGPGKEMYKOZTWBN-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.36
Rot. Bonds6

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

[4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80930359) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is [4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80930359
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name[4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1cccc(Oc2nc(NN)nc(OC)n2)c1
InChIInChI=1S/C12H15N5O3/c1-3-19-8-5-4-6-9(7-8)20-12-15-10(17-13)14-11(16-12)18-2/h4-7H,3,13H2,1-2H3,(H,14,15,16,17)
InChIKeyGPGKEMYKOZTWBN-UHFFFAOYSA-N
XLogP1.36
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80917858
N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905492
[4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909705
[4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80916071
(4-ethoxy-6-pyridin-3-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80916557
4-methoxy-6-(3-methoxyphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865867
[4-(3,5-dichlorophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80919855
[4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80917593
[4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80915610
2-N-(3-ethoxyphenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80785951
[4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 83145198
N-(3-ethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80927507

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (CID 80930359) is [4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is CCOc1cccc(Oc2nc(NN)nc(OC)n2)c1.
What is the InChIKey of [4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is GPGKEMYKOZTWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-3-19-8-5-4-6-9(7-8)20-12-15-10(17-13)14-11(16-12)18-2/h4-7H,3,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of [4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 277.28 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80930359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).