[4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

C12H23N5O3 — CID 106451582

IUPAC[4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)COCCOc1nc(NN)nc(OC(C)C)n1
InChIInChI=1S/C12H23N5O3/c1-8(2)7-18-5-6-19-11-14-10(17-13)15-12(16-11)20-9(3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15,16,17)
InChIKeyPDQXSLRXTKZJMC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.00
Rot. Bonds9

About [4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

[4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 106451582) has the molecular formula C12H23N5O3 and a molecular weight of 285.35 g/mol. Its IUPAC name is [4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID106451582
Molecular FormulaC12H23N5O3
Molecular Weight285.35 g/mol
Exact Mass285.18
IUPAC Name[4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)COCCOc1nc(NN)nc(OC(C)C)n1
InChIInChI=1S/C12H23N5O3/c1-8(2)7-18-5-6-19-11-14-10(17-13)15-12(16-11)20-9(3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15,16,17)
InChIKeyPDQXSLRXTKZJMC-UHFFFAOYSA-N
XLogP1.00
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (CID 106451582) is [4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is CC(C)COCCOc1nc(NN)nc(OC(C)C)n1.
What is the InChIKey of [4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is PDQXSLRXTKZJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3/c1-8(2)7-18-5-6-19-11-14-10(17-13)15-12(16-11)20-9(3)4/h8-9H,5-7,13H2,1-4H3,(H,14,15,16,17).
What are the key properties of [4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
[4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 285.35 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methylpropoxy)ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 106451582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).