5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

C9H9N7S2 — CID 46377352

IUPAC5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1cc(Sc2nnc(N)s2)n2ncnc2n1
InChIInChI=1S/C9H9N7S2/c1-2-5-3-6(16-8(13-5)11-4-12-16)17-9-15-14-7(10)18-9/h3-4H,2H2,1H3,(H2,10,14)
InChIKeyBSGGHVMHQJENPR-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.27
Rot. Bonds3

About 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 46377352) has the molecular formula C9H9N7S2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID46377352
Molecular FormulaC9H9N7S2
Molecular Weight279.35 g/mol
Exact Mass279.04
IUPAC Name5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1cc(Sc2nnc(N)s2)n2ncnc2n1
InChIInChI=1S/C9H9N7S2/c1-2-5-3-6(16-8(13-5)11-4-12-16)17-9-15-14-7(10)18-9/h3-4H,2H2,1H3,(H2,10,14)
InChIKeyBSGGHVMHQJENPR-UHFFFAOYSA-N
XLogP1.27
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (CID 46377352) is 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is CCc1cc(Sc2nnc(N)s2)n2ncnc2n1.
What is the InChIKey of 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BSGGHVMHQJENPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7S2/c1-2-5-3-6(16-8(13-5)11-4-12-16)17-9-15-14-7(10)18-9/h3-4H,2H2,1H3,(H2,10,14).
What are the key properties of 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 279.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 46377352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).