4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine

C8H11N7O2 — CID 4550609

IUPAC4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine
SMILESCOc1nc(N=[N+]=[N-])nc(N2CCOCC2)n1
InChIInChI=1S/C8H11N7O2/c1-16-8-11-6(13-14-9)10-7(12-8)15-2-4-17-5-3-15/h2-5H2,1H3
InChIKeyXUQVJYMCHVNIEG-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.66
Rot. Bonds3

About 4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine

4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine (PubChem CID 4550609) has the molecular formula C8H11N7O2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine
PubChem CID4550609
Molecular FormulaC8H11N7O2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine
SMILESCOc1nc(N=[N+]=[N-])nc(N2CCOCC2)n1
InChIInChI=1S/C8H11N7O2/c1-16-8-11-6(13-14-9)10-7(12-8)15-2-4-17-5-3-15/h2-5H2,1H3
InChIKeyXUQVJYMCHVNIEG-UHFFFAOYSA-N
XLogP0.66
TPSA109.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Related Compounds

2-azido-4-methoxy-6-piperidin-1-yl-1,3,5-triazine
CID 557838
ethyl 4-azido-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
CID 13416497
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride
CID 173009515
(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride
CID 11335249
4-methoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 80766525
2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine
CID 50956205
4-methoxy-N-methyl-6-(1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 80823279
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
4-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]morpholine
CID 172905606
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide
CID 122253832
2,4-dimethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 141014855
tritert-butyl 10-[4-azido-6-[4,7,10-tris[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]-1,3,5-triazin-2-yl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 53387529

Frequently Asked Questions

What is the IUPAC name of 4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine (CID 4550609) is 4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine is COc1nc(N=[N+]=[N-])nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine?
The InChIKey is XUQVJYMCHVNIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O2/c1-16-8-11-6(13-14-9)10-7(12-8)15-2-4-17-5-3-15/h2-5H2,1H3.
What are the key properties of 4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine?
4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine has a molecular weight of 237.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 4550609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).