2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione

C11H21N5S — CID 110190963

IUPAC2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione
SMILESCCCN(CCC)c1nc(=S)nc(NCC)[nH]1
InChIInChI=1S/C11H21N5S/c1-4-7-16(8-5-2)10-13-9(12-6-3)14-11(17)15-10/h4-8H2,1-3H3,(H2,12,13,14,15,17)
InChIKeyIVBFUVUXTQZLOV-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.59
Rot. Bonds7

About 2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione

2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione (PubChem CID 110190963) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione
PubChem CID110190963
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione
SMILESCCCN(CCC)c1nc(=S)nc(NCC)[nH]1
InChIInChI=1S/C11H21N5S/c1-4-7-16(8-5-2)10-13-9(12-6-3)14-11(17)15-10/h4-8H2,1-3H3,(H2,12,13,14,15,17)
InChIKeyIVBFUVUXTQZLOV-UHFFFAOYSA-N
XLogP2.59
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.59
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-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione (CID 110190963) is 2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione is CCCN(CCC)c1nc(=S)nc(NCC)[nH]1.
What is the InChIKey of 2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione?
The InChIKey is IVBFUVUXTQZLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-4-7-16(8-5-2)10-13-9(12-6-3)14-11(17)15-10/h4-8H2,1-3H3,(H2,12,13,14,15,17).
What are the key properties of 2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione?
2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione has a molecular weight of 255.39 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-6-(ethylamino)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 110190963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).