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

C13H27N5S2 — CID 19805209

IUPAC6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethanamine
SMILESCCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1.CCN
InChIInChI=1S/C11H20N4S2.C2H7N/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;1-2-3/h3-8H2,1-2H3,(H2,12,13,14,16,17);2-3H2,1H3
InChIKeyUTPALDBDHPQQQF-UHFFFAOYSA-N
MW317.53 g/mol
LogP3.57
Rot. Bonds7

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

6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethanamine (PubChem CID 19805209) has the molecular formula C13H27N5S2 and a molecular weight of 317.53 g/mol. Its IUPAC name is 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethanamine.

Molecular Properties

Compound Name6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethanamine
PubChem CID19805209
Molecular FormulaC13H27N5S2
Molecular Weight317.53 g/mol
Exact Mass317.17
IUPAC Name6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethanamine
SMILESCCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1.CCN
InChIInChI=1S/C11H20N4S2.C2H7N/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;1-2-3/h3-8H2,1-2H3,(H2,12,13,14,16,17);2-3H2,1H3
InChIKeyUTPALDBDHPQQQF-UHFFFAOYSA-N
XLogP3.57
TPSA73.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.53
LogP ≤ 53.57
H-Bond Donors ≤ 53
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 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethanamine?
The IUPAC name of 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethanamine (CID 19805209) is 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethanamine.
What is the SMILES notation for 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethanamine?
The canonical SMILES for 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethanamine is CCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1.CCN.
What is the InChIKey of 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethanamine?
The InChIKey is UTPALDBDHPQQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S2.C2H7N/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;1-2-3/h3-8H2,1-2H3,(H2,12,13,14,16,17);2-3H2,1H3.
What are the key properties of 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethanamine?
6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethanamine has a molecular weight of 317.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 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;ethanamine is sourced from PubChem (CID 19805209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).