2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine

C14H22N8S2 — CID 52943782

IUPAC2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCSc1nncc(-c2cnnc(SCCN(C)C)n2)n1
InChIInChI=1S/C14H22N8S2/c1-21(2)5-7-23-13-17-11(9-15-19-13)12-10-16-20-14(18-12)24-8-6-22(3)4/h9-10H,5-8H2,1-4H3
InChIKeyFXVQGYNMHHGHLX-UHFFFAOYSA-N
MW366.52 g/mol
LogP1.03
Rot. Bonds9

About 2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine

2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine (PubChem CID 52943782) has the molecular formula C14H22N8S2 and a molecular weight of 366.52 g/mol. Its IUPAC name is 2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine
PubChem CID52943782
Molecular FormulaC14H22N8S2
Molecular Weight366.52 g/mol
Exact Mass366.14
IUPAC Name2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCSc1nncc(-c2cnnc(SCCN(C)C)n2)n1
InChIInChI=1S/C14H22N8S2/c1-21(2)5-7-23-13-17-11(9-15-19-13)12-10-16-20-14(18-12)24-8-6-22(3)4/h9-10H,5-8H2,1-4H3
InChIKeyFXVQGYNMHHGHLX-UHFFFAOYSA-N
XLogP1.03
TPSA83.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.52
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine (CID 52943782) is 2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine is CN(C)CCSc1nncc(-c2cnnc(SCCN(C)C)n2)n1.
What is the InChIKey of 2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine?
The InChIKey is FXVQGYNMHHGHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8S2/c1-21(2)5-7-23-13-17-11(9-15-19-13)12-10-16-20-14(18-12)24-8-6-22(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine?
2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine has a molecular weight of 366.52 g/mol, XLogP of 1.03, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-[2-(dimethylamino)ethylsulfanyl]-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-dimethylethanamine is sourced from PubChem (CID 52943782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).