ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate

C10H13N7O3 — CID 13416497

IUPACethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
SMILESCCOC(=O)c1nc(N=[N+]=[N-])nc(N2CCOCC2)n1
InChIInChI=1S/C10H13N7O3/c1-2-20-8(18)7-12-9(15-16-11)14-10(13-7)17-3-5-19-6-4-17/h2-6H2,1H3
InChIKeyLTNZCBATCWFAKY-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.83
Rot. Bonds4

About ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate

ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate (PubChem CID 13416497) has the molecular formula C10H13N7O3 and a molecular weight of 279.26 g/mol. Its IUPAC name is ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
PubChem CID13416497
Molecular FormulaC10H13N7O3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Nameethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
SMILESCCOC(=O)c1nc(N=[N+]=[N-])nc(N2CCOCC2)n1
InChIInChI=1S/C10H13N7O3/c1-2-20-8(18)7-12-9(15-16-11)14-10(13-7)17-3-5-19-6-4-17/h2-6H2,1H3
InChIKeyLTNZCBATCWFAKY-UHFFFAOYSA-N
XLogP0.83
TPSA126.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate?
The IUPAC name of ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate (CID 13416497) is ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate?
The canonical SMILES for ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate is CCOC(=O)c1nc(N=[N+]=[N-])nc(N2CCOCC2)n1.
What is the InChIKey of ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate?
The InChIKey is LTNZCBATCWFAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O3/c1-2-20-8(18)7-12-9(15-16-11)14-10(13-7)17-3-5-19-6-4-17/h2-6H2,1H3.
What are the key properties of ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate?
ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate has a molecular weight of 279.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 13416497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).