4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine

C17H25N5O2 — CID 11267551

IUPAC4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
SMILESCCCCC#Cc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H25N5O2/c1-2-3-4-5-6-15-18-16(21-7-11-23-12-8-21)20-17(19-15)22-9-13-24-14-10-22/h2-4,7-14H2,1H3
InChIKeyVLGDKKGVMKETBZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.09
Rot. Bonds4

About 4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine

4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine (PubChem CID 11267551) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
PubChem CID11267551
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
SMILESCCCCC#Cc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H25N5O2/c1-2-3-4-5-6-15-18-16(21-7-11-23-12-8-21)20-17(19-15)22-9-13-24-14-10-22/h2-4,7-14H2,1H3
InChIKeyVLGDKKGVMKETBZ-UHFFFAOYSA-N
XLogP1.09
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine (CID 11267551) is 4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine is CCCCC#Cc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine?
The InChIKey is VLGDKKGVMKETBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-2-3-4-5-6-15-18-16(21-7-11-23-12-8-21)20-17(19-15)22-9-13-24-14-10-22/h2-4,7-14H2,1H3.
What are the key properties of 4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine?
4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine has a molecular weight of 331.42 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hex-1-ynyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 11267551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).