3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C9H13N5S — CID 114354016

IUPAC3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCc1nnc2sc(C3CCNC3)nn12
InChIInChI=1S/C9H13N5S/c1-2-7-11-12-9-14(7)13-8(15-9)6-3-4-10-5-6/h6,10H,2-5H2,1H3
InChIKeyCFVPKJBIPSPYJF-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.83
Rot. Bonds2

About 3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114354016) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114354016
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCc1nnc2sc(C3CCNC3)nn12
InChIInChI=1S/C9H13N5S/c1-2-7-11-12-9-14(7)13-8(15-9)6-3-4-10-5-6/h6,10H,2-5H2,1H3
InChIKeyCFVPKJBIPSPYJF-UHFFFAOYSA-N
XLogP0.83
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-6-(piperidin-3-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354178
3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 39364885
3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354066
4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine
CID 114354060
(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)hydrazine
CID 91679130
3-(methoxymethyl)-6-pyrrolidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355290
2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole
CID 115042250
3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355291
1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114356334
6-[(3S)-1-propan-2-ylpiperidin-3-yl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 95509767
methyl 2-cyclopentyl-2-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate
CID 114352500
3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 82473348

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114354016) is 3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCc1nnc2sc(C3CCNC3)nn12.
What is the InChIKey of 3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is CFVPKJBIPSPYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-2-7-11-12-9-14(7)13-8(15-9)6-3-4-10-5-6/h6,10H,2-5H2,1H3.
What are the key properties of 3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 223.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114354016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).