methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate

C10H18N6O3 — CID 114284142

IUPACmethyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate
SMILESCCOc1nc(NN)nc(NC(C)CC(=O)OC)n1
InChIInChI=1S/C10H18N6O3/c1-4-19-10-14-8(13-9(15-10)16-11)12-6(2)5-7(17)18-3/h6H,4-5,11H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyJYIGZBOPANYSCI-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.08
Rot. Bonds7

About methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate

methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate (PubChem CID 114284142) has the molecular formula C10H18N6O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate
PubChem CID114284142
Molecular FormulaC10H18N6O3
Molecular Weight270.29 g/mol
Exact Mass270.14
IUPAC Namemethyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate
SMILESCCOc1nc(NN)nc(NC(C)CC(=O)OC)n1
InChIInChI=1S/C10H18N6O3/c1-4-19-10-14-8(13-9(15-10)16-11)12-6(2)5-7(17)18-3/h6H,4-5,11H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyJYIGZBOPANYSCI-UHFFFAOYSA-N
XLogP-0.08
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.08
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 methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate with MolForge

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Related Compounds

2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80897980
2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 80908233
4-ethoxy-6-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80915837
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]acetamide
CID 80932009
4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 80901930
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate
CID 80923874
ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate
CID 80897794
2-[(2-amino-2-oxoethyl)-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]acetamide
CID 80919652
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
N-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80897706

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate?
The IUPAC name of methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate (CID 114284142) is methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate.
What is the SMILES notation for methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate?
The canonical SMILES for methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate is CCOc1nc(NN)nc(NC(C)CC(=O)OC)n1.
What is the InChIKey of methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate?
The InChIKey is JYIGZBOPANYSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3/c1-4-19-10-14-8(13-9(15-10)16-11)12-6(2)5-7(17)18-3/h6H,4-5,11H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate?
methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate has a molecular weight of 270.29 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate is sourced from PubChem (CID 114284142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).