(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate

C8H10N6OS — CID 139227400

IUPAC(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate
SMILESN#CSc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C8H10N6OS/c9-5-16-8-12-6(10)11-7(13-8)14-1-3-15-4-2-14/h1-4H2,(H2,10,11,12,13)
InChIKeyDRFGYPLPFCNQTK-UHFFFAOYSA-N
MW238.28 g/mol
LogP-0.14
Rot. Bonds2

About (4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate

(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate (PubChem CID 139227400) has the molecular formula C8H10N6OS and a molecular weight of 238.28 g/mol. Its IUPAC name is (4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate.

Molecular Properties

Compound Name(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate
PubChem CID139227400
Molecular FormulaC8H10N6OS
Molecular Weight238.28 g/mol
Exact Mass238.06
IUPAC Name(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate
SMILESN#CSc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C8H10N6OS/c9-5-16-8-12-6(10)11-7(13-8)14-1-3-15-4-2-14/h1-4H2,(H2,10,11,12,13)
InChIKeyDRFGYPLPFCNQTK-UHFFFAOYSA-N
XLogP-0.14
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate?
The IUPAC name of (4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate (CID 139227400) is (4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate.
What is the SMILES notation for (4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate?
The canonical SMILES for (4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate is N#CSc1nc(N)nc(N2CCOCC2)n1.
What is the InChIKey of (4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate?
The InChIKey is DRFGYPLPFCNQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS/c9-5-16-8-12-6(10)11-7(13-8)14-1-3-15-4-2-14/h1-4H2,(H2,10,11,12,13).
What are the key properties of (4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate?
(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate has a molecular weight of 238.28 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate is sourced from PubChem (CID 139227400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).