ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate

C11H20N6O3 — CID 80897794

IUPACethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1nc(NN)nc(OC(C)C)n1
InChIInChI=1S/C11H20N6O3/c1-5-19-8(18)7(4)13-9-14-10(17-12)16-11(15-9)20-6(2)3/h6-7H,5,12H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyFVBFDRCPQUFXBI-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.31
Rot. Bonds7

About ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate

ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate (PubChem CID 80897794) has the molecular formula C11H20N6O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate
PubChem CID80897794
Molecular FormulaC11H20N6O3
Molecular Weight284.32 g/mol
Exact Mass284.16
IUPAC Nameethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1nc(NN)nc(OC(C)C)n1
InChIInChI=1S/C11H20N6O3/c1-5-19-8(18)7(4)13-9-14-10(17-12)16-11(15-9)20-6(2)3/h6-7H,5,12H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyFVBFDRCPQUFXBI-UHFFFAOYSA-N
XLogP0.31
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 80897303
methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80783468
N-(3-ethylpentan-2-yl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80910560
N-hexan-3-yl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80907736
(2S)-2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80922548
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80897980
N-ethyl-2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]acetamide
CID 80906622
ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate
CID 80897570
3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80905968
N-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80897706
2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea
CID 83117573
1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol
CID 80915056

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate (CID 80897794) is ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate is CCOC(=O)C(C)Nc1nc(NN)nc(OC(C)C)n1.
What is the InChIKey of ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate?
The InChIKey is FVBFDRCPQUFXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O3/c1-5-19-8(18)7(4)13-9-14-10(17-12)16-11(15-9)20-6(2)3/h6-7H,5,12H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate?
ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate has a molecular weight of 284.32 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate is sourced from PubChem (CID 80897794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).