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

C13H23N5S2 — CID 19805226

IUPAC6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;butan-1-amine
SMILESC=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.CCCCN
InChIInChI=1S/C9H12N4S2.C4H11N/c1-3-5-13(6-4-2)7-10-8(14)12-9(15)11-7;1-2-3-4-5/h3-4H,1-2,5-6H2,(H2,10,11,12,14,15);2-5H2,1H3
InChIKeyGPDPMHDJPZKWNK-UHFFFAOYSA-N
MW313.50 g/mol
LogP3.12
Rot. Bonds7

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

6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;butan-1-amine (PubChem CID 19805226) has the molecular formula C13H23N5S2 and a molecular weight of 313.50 g/mol. Its IUPAC name is 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;butan-1-amine.

Molecular Properties

Compound Name6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;butan-1-amine
PubChem CID19805226
Molecular FormulaC13H23N5S2
Molecular Weight313.50 g/mol
Exact Mass313.14
IUPAC Name6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;butan-1-amine
SMILESC=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.CCCCN
InChIInChI=1S/C9H12N4S2.C4H11N/c1-3-5-13(6-4-2)7-10-8(14)12-9(15)11-7;1-2-3-4-5/h3-4H,1-2,5-6H2,(H2,10,11,12,14,15);2-5H2,1H3
InChIKeyGPDPMHDJPZKWNK-UHFFFAOYSA-N
XLogP3.12
TPSA73.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.50
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;butan-1-amine?
The IUPAC name of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;butan-1-amine (CID 19805226) is 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;butan-1-amine.
What is the SMILES notation for 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;butan-1-amine?
The canonical SMILES for 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;butan-1-amine is C=CCN(CC=C)c1nc(=S)[nH]c(=S)[nH]1.CCCCN.
What is the InChIKey of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;butan-1-amine?
The InChIKey is GPDPMHDJPZKWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2.C4H11N/c1-3-5-13(6-4-2)7-10-8(14)12-9(15)11-7;1-2-3-4-5/h3-4H,1-2,5-6H2,(H2,10,11,12,14,15);2-5H2,1H3.
What are the key properties of 6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;butan-1-amine?
6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;butan-1-amine has a molecular weight of 313.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 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;butan-1-amine is sourced from PubChem (CID 19805226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).