6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine

C17H35N5S2 — CID 19805203

IUPAC6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine
SMILESCCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1.CCN(CC)CC
InChIInChI=1S/C11H20N4S2.C6H15N/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;1-4-7(5-2)6-3/h3-8H2,1-2H3,(H2,12,13,14,16,17);4-6H2,1-3H3
InChIKeyIQLPHDBYZLSULY-UHFFFAOYSA-N
MW373.64 g/mol
LogP4.95
Rot. Bonds10

About 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine

6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine (PubChem CID 19805203) has the molecular formula C17H35N5S2 and a molecular weight of 373.64 g/mol. Its IUPAC name is 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine.

Molecular Properties

Compound Name6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine
PubChem CID19805203
Molecular FormulaC17H35N5S2
Molecular Weight373.64 g/mol
Exact Mass373.23
IUPAC Name6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine
SMILESCCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1.CCN(CC)CC
InChIInChI=1S/C11H20N4S2.C6H15N/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;1-4-7(5-2)6-3/h3-8H2,1-2H3,(H2,12,13,14,16,17);4-6H2,1-3H3
InChIKeyIQLPHDBYZLSULY-UHFFFAOYSA-N
XLogP4.95
TPSA50.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.64
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazine-2,4(1H,3H)-dithione, 6-(dibutylamino)-
CID 3035346
6-(dioctylamino)-1H-1,3,5-triazine-2,4-dithione
CID 14345026
1,3,5-Triazine-2,4(1H,3H)-dithione, 6-(dibutylamino)-, sodium salt (1:1)
CID 23715169
sodium 6-(dibutylamino)-4-sulfanylidene-1H-1,3,5-triazine-2-thiolate
CID 23690101
6-(Didodecylamino)-1,3,5-triazine-2,4(1H,3H)-dithione
CID 13685233
butan-1-amine;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione
CID 19805196
6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethanamine
CID 19805209
6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine
CID 19805230
6-[Di(butan-2-yl)amino]-1,3,5-triazine-2,4(1H,3H)-dithione
CID 20222427
6-(dipentylamino)-1H-1,3,5-triazine-2,4-dithione
CID 20222429
6-(dibutylamino)-4-[[2-(dibutylamino)-6-sulfanylidene-1H-1,3,5-triazin-4-yl]disulfanyl]-1H-1,3,5-triazine-2-thione
CID 20314949
6-(didecylamino)-1H-1,3,5-triazine-2,4-dithione
CID 21276561

Frequently Asked Questions

What is the IUPAC name of 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine?
The IUPAC name of 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine (CID 19805203) is 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine.
What is the SMILES notation for 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine?
The canonical SMILES for 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine is CCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1.CCN(CC)CC.
What is the InChIKey of 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine?
The InChIKey is IQLPHDBYZLSULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S2.C6H15N/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;1-4-7(5-2)6-3/h3-8H2,1-2H3,(H2,12,13,14,16,17);4-6H2,1-3H3.
What are the key properties of 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine?
6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine has a molecular weight of 373.64 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;N,N-diethylethanamine is sourced from PubChem (CID 19805203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).