2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione

C11H21N5S — CID 3032460

IUPAC2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione
SMILESCCN(CC)c1nc(=S)nc(N(CC)CC)[nH]1
InChIInChI=1S/C11H21N5S/c1-5-15(6-2)9-12-10(14-11(17)13-9)16(7-3)8-4/h5-8H2,1-4H3,(H,12,13,14,17)
InChIKeyDCNOKBWQRHOOBG-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.23
Rot. Bonds6

About 2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione

2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione (PubChem CID 3032460) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione
PubChem CID3032460
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione
SMILESCCN(CC)c1nc(=S)nc(N(CC)CC)[nH]1
InChIInChI=1S/C11H21N5S/c1-5-15(6-2)9-12-10(14-11(17)13-9)16(7-3)8-4/h5-8H2,1-4H3,(H,12,13,14,17)
InChIKeyDCNOKBWQRHOOBG-UHFFFAOYSA-N
XLogP2.23
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
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 2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione (CID 3032460) is 2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione is CCN(CC)c1nc(=S)nc(N(CC)CC)[nH]1.
What is the InChIKey of 2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione?
The InChIKey is DCNOKBWQRHOOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-5-15(6-2)9-12-10(14-11(17)13-9)16(7-3)8-4/h5-8H2,1-4H3,(H,12,13,14,17).
What are the key properties of 2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione?
2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione has a molecular weight of 255.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(diethylamino)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 3032460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).