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

C11H19N7S2 — CID 19805204

IUPAC6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethene-1,1,2-triamine
SMILESC=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.NC=C(N)N
InChIInChI=1S/C9H12N4S2.C2H7N3/c1-3-5-13(6-4-2)7-10-8(14)12-9(15)11-7;3-1-2(4)5/h3-4H,1-2,5-6H2,(H2,10,11,12,14,15);1H,3-5H2
InChIKeyIWFXQAAUDTZJCI-UHFFFAOYSA-N
MW313.46 g/mol
LogP1.04
Rot. Bonds5

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

6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethene-1,1,2-triamine (PubChem CID 19805204) has the molecular formula C11H19N7S2 and a molecular weight of 313.46 g/mol. Its IUPAC name is 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethene-1,1,2-triamine.

Molecular Properties

Compound Name6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethene-1,1,2-triamine
PubChem CID19805204
Molecular FormulaC11H19N7S2
Molecular Weight313.46 g/mol
Exact Mass313.11
IUPAC Name6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethene-1,1,2-triamine
SMILESC=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.NC=C(N)N
InChIInChI=1S/C9H12N4S2.C2H7N3/c1-3-5-13(6-4-2)7-10-8(14)12-9(15)11-7;3-1-2(4)5/h3-4H,1-2,5-6H2,(H2,10,11,12,14,15);1H,3-5H2
InChIKeyIWFXQAAUDTZJCI-UHFFFAOYSA-N
XLogP1.04
TPSA125.77 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 51.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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;ethene-1,1,2-triamine?
The IUPAC name of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethene-1,1,2-triamine (CID 19805204) is 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethene-1,1,2-triamine.
What is the SMILES notation for 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethene-1,1,2-triamine?
The canonical SMILES for 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethene-1,1,2-triamine is C=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.NC=C(N)N.
What is the InChIKey of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethene-1,1,2-triamine?
The InChIKey is IWFXQAAUDTZJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2.C2H7N3/c1-3-5-13(6-4-2)7-10-8(14)12-9(15)11-7;3-1-2(4)5/h3-4H,1-2,5-6H2,(H2,10,11,12,14,15);1H,3-5H2.
What are the key properties of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethene-1,1,2-triamine?
6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethene-1,1,2-triamine has a molecular weight of 313.46 g/mol, XLogP of 1.04, 5 rotatable bonds, 5 hydrogen bond donors, and 7 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;ethene-1,1,2-triamine is sourced from PubChem (CID 19805204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).