[4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine

C12H23N7O — CID 80911156

IUPAC[4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(N2CCN(CC)C(C)C2)n1
InChIInChI=1S/C12H23N7O/c1-4-18-6-7-19(8-9(18)3)11-14-10(17-13)15-12(16-11)20-5-2/h9H,4-8,13H2,1-3H3,(H,14,15,16,17)
InChIKeyHBLFDTNRAZGGLU-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.09
Rot. Bonds5

About [4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine

[4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80911156) has the molecular formula C12H23N7O and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80911156
Molecular FormulaC12H23N7O
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name[4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(N2CCN(CC)C(C)C2)n1
InChIInChI=1S/C12H23N7O/c1-4-18-6-7-19(8-9(18)3)11-14-10(17-13)15-12(16-11)20-5-2/h9H,4-8,13H2,1-3H3,(H,14,15,16,17)
InChIKeyHBLFDTNRAZGGLU-UHFFFAOYSA-N
XLogP0.09
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.09
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-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80899195
1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971920
N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80833952
[4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)morpholin-2-yl]methanol
CID 81218495
[4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102939211
1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971915
1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 80900405
4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80799026
[4-(4-ethyl-3-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103333711
4-(3,5-dimethylpiperidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80766730
2-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)pyridin-3-amine
CID 63609974
2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 63615539

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine (CID 80911156) is [4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine is CCOc1nc(NN)nc(N2CCN(CC)C(C)C2)n1.
What is the InChIKey of [4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is HBLFDTNRAZGGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O/c1-4-18-6-7-19(8-9(18)3)11-14-10(17-13)15-12(16-11)20-5-2/h9H,4-8,13H2,1-3H3,(H,14,15,16,17).
What are the key properties of [4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
[4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 281.36 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80911156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).