2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine

C15H29N5S4 — CID 20504239

IUPAC2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine
SMILESCCCSN(SCCC)c1ncnc(N(SCCC)SCCC)n1
InChIInChI=1S/C15H29N5S4/c1-5-9-21-19(22-10-6-2)14-16-13-17-15(18-14)20(23-11-7-3)24-12-8-4/h13H,5-12H2,1-4H3
InChIKeyDWQUBUNIYMDYIQ-UHFFFAOYSA-N
MW407.70 g/mol
LogP5.72
Rot. Bonds14

About 2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine (PubChem CID 20504239) has the molecular formula C15H29N5S4 and a molecular weight of 407.70 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine
PubChem CID20504239
Molecular FormulaC15H29N5S4
Molecular Weight407.70 g/mol
Exact Mass407.13
IUPAC Name2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine
SMILESCCCSN(SCCC)c1ncnc(N(SCCC)SCCC)n1
InChIInChI=1S/C15H29N5S4/c1-5-9-21-19(22-10-6-2)14-16-13-17-15(18-14)20(23-11-7-3)24-12-8-4/h13H,5-12H2,1-4H3
InChIKeyDWQUBUNIYMDYIQ-UHFFFAOYSA-N
XLogP5.72
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.70
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine (CID 20504239) is 2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine is CCCSN(SCCC)c1ncnc(N(SCCC)SCCC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DWQUBUNIYMDYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5S4/c1-5-9-21-19(22-10-6-2)14-16-13-17-15(18-14)20(23-11-7-3)24-12-8-4/h13H,5-12H2,1-4H3.
What are the key properties of 2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 407.70 g/mol, XLogP of 5.72, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetrakis(propylsulfanyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20504239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).