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

C7H13N5S — CID 3032374

IUPAC2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione
SMILESCCNc1nc(=S)nc(NCC)[nH]1
InChIInChI=1S/C7H13N5S/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13)
InChIKeyFNFHKYYENMTFNM-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.40
Rot. Bonds4

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

2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione (PubChem CID 3032374) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione
PubChem CID3032374
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC Name2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione
SMILESCCNc1nc(=S)nc(NCC)[nH]1
InChIInChI=1S/C7H13N5S/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13)
InChIKeyFNFHKYYENMTFNM-UHFFFAOYSA-N
XLogP1.40
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione (CID 3032374) is 2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione is CCNc1nc(=S)nc(NCC)[nH]1.
What is the InChIKey of 2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione?
The InChIKey is FNFHKYYENMTFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13).
What are the key properties of 2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione?
2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione has a molecular weight of 199.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 3032374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).