6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine

C11H20N6S2 — CID 19805199

IUPAC6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine
SMILESC=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.NCCN
InChIInChI=1S/C9H12N4S2.C2H8N2/c1-3-5-13(6-4-2)7-10-8(14)12-9(15)11-7;3-1-2-4/h3-4H,1-2,5-6H2,(H2,10,11,12,14,15);1-4H2
InChIKeyUKJHDLGEMWWGEN-UHFFFAOYSA-N
MW300.46 g/mol
LogP1.28
Rot. Bonds6

About 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine

6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine (PubChem CID 19805199) has the molecular formula C11H20N6S2 and a molecular weight of 300.46 g/mol. Its IUPAC name is 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine.

Molecular Properties

Compound Name6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine
PubChem CID19805199
Molecular FormulaC11H20N6S2
Molecular Weight300.46 g/mol
Exact Mass300.12
IUPAC Name6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine
SMILESC=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.NCCN
InChIInChI=1S/C9H12N4S2.C2H8N2/c1-3-5-13(6-4-2)7-10-8(14)12-9(15)11-7;3-1-2-4/h3-4H,1-2,5-6H2,(H2,10,11,12,14,15);1-4H2
InChIKeyUKJHDLGEMWWGEN-UHFFFAOYSA-N
XLogP1.28
TPSA99.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.46
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine?
The IUPAC name of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine (CID 19805199) is 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine.
What is the SMILES notation for 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine?
The canonical SMILES for 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine is C=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.NCCN.
What is the InChIKey of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine?
The InChIKey is UKJHDLGEMWWGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2.C2H8N2/c1-3-5-13(6-4-2)7-10-8(14)12-9(15)11-7;3-1-2-4/h3-4H,1-2,5-6H2,(H2,10,11,12,14,15);1-4H2.
What are the key properties of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine?
6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine has a molecular weight of 300.46 g/mol, XLogP of 1.28, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethane-1,2-diamine is sourced from PubChem (CID 19805199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).