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

C13H28N6S2 — CID 19805230

IUPAC6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine
SMILESCCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1.NCCN
InChIInChI=1S/C11H20N4S2.C2H8N2/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;3-1-2-4/h3-8H2,1-2H3,(H2,12,13,14,16,17);1-4H2
InChIKeyAGUGMMNQFVNWLK-UHFFFAOYSA-N
MW332.54 g/mol
LogP2.51
Rot. Bonds8

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

6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine (PubChem CID 19805230) has the molecular formula C13H28N6S2 and a molecular weight of 332.54 g/mol. Its IUPAC name is 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine.

Molecular Properties

Compound Name6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine
PubChem CID19805230
Molecular FormulaC13H28N6S2
Molecular Weight332.54 g/mol
Exact Mass332.18
IUPAC Name6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine
SMILESCCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1.NCCN
InChIInChI=1S/C11H20N4S2.C2H8N2/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;3-1-2-4/h3-8H2,1-2H3,(H2,12,13,14,16,17);1-4H2
InChIKeyAGUGMMNQFVNWLK-UHFFFAOYSA-N
XLogP2.51
TPSA99.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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;ethane-1,2-diamine?
The IUPAC name of 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine (CID 19805230) is 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine.
What is the SMILES notation for 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine?
The canonical SMILES for 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine is CCCCN(CCCC)c1nc(=S)[nH]c(=S)[nH]1.NCCN.
What is the InChIKey of 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine?
The InChIKey is AGUGMMNQFVNWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S2.C2H8N2/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9;3-1-2-4/h3-8H2,1-2H3,(H2,12,13,14,16,17);1-4H2.
What are the key properties of 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine?
6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine has a molecular weight of 332.54 g/mol, XLogP of 2.51, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine is sourced from PubChem (CID 19805230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).