2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione

C7H10N4OS — CID 83241763

IUPAC2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(C2CCOC2)[nH]1
InChIInChI=1S/C7H10N4OS/c8-6-9-5(10-7(13)11-6)4-1-2-12-3-4/h4H,1-3H2,(H3,8,9,10,11,13)
InChIKeyHFMNFIRZXDFGLY-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.62
Rot. Bonds1

About 2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione

2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione (PubChem CID 83241763) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione
PubChem CID83241763
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(C2CCOC2)[nH]1
InChIInChI=1S/C7H10N4OS/c8-6-9-5(10-7(13)11-6)4-1-2-12-3-4/h4H,1-3H2,(H3,8,9,10,11,13)
InChIKeyHFMNFIRZXDFGLY-UHFFFAOYSA-N
XLogP0.62
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione (CID 83241763) is 2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione is Nc1nc(=S)nc(C2CCOC2)[nH]1.
What is the InChIKey of 2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione?
The InChIKey is HFMNFIRZXDFGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c8-6-9-5(10-7(13)11-6)4-1-2-12-3-4/h4H,1-3H2,(H3,8,9,10,11,13).
What are the key properties of 2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione has a molecular weight of 198.25 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 83241763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).