4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

C9H11N7S2 — CID 80892959

IUPAC4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Sc2nncs2)nc(N2CCCC2)n1
InChIInChI=1S/C9H11N7S2/c10-6-12-7(16-3-1-2-4-16)14-8(13-6)18-9-15-11-5-17-9/h5H,1-4H2,(H2,10,12,13,14)
InChIKeyUAVKYIVAKKDXRV-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.06
Rot. Bonds3

About 4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80892959) has the molecular formula C9H11N7S2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80892959
Molecular FormulaC9H11N7S2
Molecular Weight281.37 g/mol
Exact Mass281.05
IUPAC Name4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Sc2nncs2)nc(N2CCCC2)n1
InChIInChI=1S/C9H11N7S2/c10-6-12-7(16-3-1-2-4-16)14-8(13-6)18-9-15-11-5-17-9/h5H,1-4H2,(H2,10,12,13,14)
InChIKeyUAVKYIVAKKDXRV-UHFFFAOYSA-N
XLogP1.06
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930406
4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873072
4-ethoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80893125
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80884149
4-(2-methylphenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873141
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106928400
4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80883602
4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80886210
4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80893879
4-pyrrolidin-1-yl-6-(1,4-thiazepan-4-yl)-1,3,5-triazin-2-amine
CID 80795140
[4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930718
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80923798

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (CID 80892959) is 4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is Nc1nc(Sc2nncs2)nc(N2CCCC2)n1.
What is the InChIKey of 4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is UAVKYIVAKKDXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7S2/c10-6-12-7(16-3-1-2-4-16)14-8(13-6)18-9-15-11-5-17-9/h5H,1-4H2,(H2,10,12,13,14).
What are the key properties of 4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 281.37 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80892959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).