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

C11H21N7O2 — CID 80915400

IUPACethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate
SMILESCCOC(=O)CCCNc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C11H21N7O2/c1-4-20-8(19)6-5-7-13-9-14-10(17-12)16-11(15-9)18(2)3/h4-7,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeySAEGETXDOUXWGP-UHFFFAOYSA-N
MW283.34 g/mol
LogP-0.02
Rot. Bonds8

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

ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate (PubChem CID 80915400) has the molecular formula C11H21N7O2 and a molecular weight of 283.34 g/mol. Its IUPAC name is ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate
PubChem CID80915400
Molecular FormulaC11H21N7O2
Molecular Weight283.34 g/mol
Exact Mass283.18
IUPAC Nameethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate
SMILESCCOC(=O)CCCNc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C11H21N7O2/c1-4-20-8(19)6-5-7-13-9-14-10(17-12)16-11(15-9)18(2)3/h4-7,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeySAEGETXDOUXWGP-UHFFFAOYSA-N
XLogP-0.02
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]butanoate
CID 64574899
ethyl 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80816508
6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
CID 106043693
ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate
CID 80843895
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]acetamide
CID 80932664
2-N-[2-(diethylamino)ethyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80931722
ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80789784
1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol
CID 80915923
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80929618
4-[2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80898444
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855279

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate?
The IUPAC name of ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate (CID 80915400) is ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate?
The canonical SMILES for ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate is CCOC(=O)CCCNc1nc(NN)nc(N(C)C)n1.
What is the InChIKey of ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate?
The InChIKey is SAEGETXDOUXWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7O2/c1-4-20-8(19)6-5-7-13-9-14-10(17-12)16-11(15-9)18(2)3/h4-7,12H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate?
ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate has a molecular weight of 283.34 g/mol, XLogP of -0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate is sourced from PubChem (CID 80915400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).