2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione

C8H13N5S — CID 14953276

IUPAC2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C8H13N5S/c9-6-10-7(12-8(14)11-6)13-4-2-1-3-5-13/h1-5H2,(H3,9,10,11,12,14)
InChIKeyMSJMSRLREACDJP-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.11
Rot. Bonds1

About 2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione

2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione (PubChem CID 14953276) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione
PubChem CID14953276
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Name2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C8H13N5S/c9-6-10-7(12-8(14)11-6)13-4-2-1-3-5-13/h1-5H2,(H3,9,10,11,12,14)
InChIKeyMSJMSRLREACDJP-UHFFFAOYSA-N
XLogP1.11
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.11
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-piperidin-1-yl-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione (CID 14953276) is 2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione is Nc1nc(=S)nc(N2CCCCC2)[nH]1.
What is the InChIKey of 2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione?
The InChIKey is MSJMSRLREACDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5S/c9-6-10-7(12-8(14)11-6)13-4-2-1-3-5-13/h1-5H2,(H3,9,10,11,12,14).
What are the key properties of 2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione?
2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione has a molecular weight of 211.29 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-piperidin-1-yl-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 14953276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).