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

C11H19N7O3 — CID 6426207

IUPACethyl 2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(NN)nc(N2CCOCC2)n1
InChIInChI=1S/C11H19N7O3/c1-2-21-8(19)7-13-9-14-10(17-12)16-11(15-9)18-3-5-20-6-4-18/h2-7,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyPZMQTJULFMFPML-UHFFFAOYSA-N
MW297.32 g/mol
LogP-1.03
Rot. Bonds6

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

ethyl 2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate (PubChem CID 6426207) has the molecular formula C11H19N7O3 and a molecular weight of 297.32 g/mol. Its IUPAC name is ethyl 2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate
PubChem CID6426207
Molecular FormulaC11H19N7O3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Nameethyl 2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(NN)nc(N2CCOCC2)n1
InChIInChI=1S/C11H19N7O3/c1-2-21-8(19)7-13-9-14-10(17-12)16-11(15-9)18-3-5-20-6-4-18/h2-7,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyPZMQTJULFMFPML-UHFFFAOYSA-N
XLogP-1.03
TPSA127.52 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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 ethyl 2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate (CID 6426207) is ethyl 2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate is CCOC(=O)CNc1nc(NN)nc(N2CCOCC2)n1.
What is the InChIKey of ethyl 2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
The InChIKey is PZMQTJULFMFPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O3/c1-2-21-8(19)7-13-9-14-10(17-12)16-11(15-9)18-3-5-20-6-4-18/h2-7,12H2,1H3,(H2,13,14,15,16,17).
What are the key properties of ethyl 2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
ethyl 2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate has a molecular weight of 297.32 g/mol, XLogP of -1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate is sourced from PubChem (CID 6426207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).