4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C12H20N8S — CID 80887405

IUPAC4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCN(CC)CCSc1nc(NC)nc(-n2cncn2)n1
InChIInChI=1S/C12H20N8S/c1-4-19(5-2)6-7-21-12-17-10(13-3)16-11(18-12)20-9-14-8-15-20/h8-9H,4-7H2,1-3H3,(H,13,16,17,18)
InChIKeyUWZIKBAGNHMOTR-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.93
Rot. Bonds8

About 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80887405) has the molecular formula C12H20N8S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80887405
Molecular FormulaC12H20N8S
Molecular Weight308.41 g/mol
Exact Mass308.15
IUPAC Name4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCN(CC)CCSc1nc(NC)nc(-n2cncn2)n1
InChIInChI=1S/C12H20N8S/c1-4-19(5-2)6-7-21-12-17-10(13-3)16-11(18-12)20-9-14-8-15-20/h8-9H,4-7H2,1-3H3,(H,13,16,17,18)
InChIKeyUWZIKBAGNHMOTR-UHFFFAOYSA-N
XLogP0.93
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-butylsulfanyl-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80884142
N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107765891
N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80882673
4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80886795
4-ethoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853680
methyl 3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]propanoate
CID 80923175
4-N-methyl-2-N-pentyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80785739
4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890906
N-ethyl-4-propan-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80885559
4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80803827
4-(2-methylbutylsulfanyl)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107765721
N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107765210

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80887405) is 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCN(CC)CCSc1nc(NC)nc(-n2cncn2)n1.
What is the InChIKey of 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is UWZIKBAGNHMOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8S/c1-4-19(5-2)6-7-21-12-17-10(13-3)16-11(18-12)20-9-14-8-15-20/h8-9H,4-7H2,1-3H3,(H,13,16,17,18).
What are the key properties of 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 308.41 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).