4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine

C10H15N5OS — CID 114354060

IUPAC4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine
SMILESCCc1nnc2sc(C3COCC3NC)nn12
InChIInChI=1S/C10H15N5OS/c1-3-8-12-13-10-15(8)14-9(17-10)6-4-16-5-7(6)11-2/h6-7,11H,3-5H2,1-2H3
InChIKeyXXTVSJFVAWYMIV-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.45
Rot. Bonds3

About 4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine

4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine (PubChem CID 114354060) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine
PubChem CID114354060
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine
SMILESCCc1nnc2sc(C3COCC3NC)nn12
InChIInChI=1S/C10H15N5OS/c1-3-8-12-13-10-15(8)14-9(17-10)6-4-16-5-7(6)11-2/h6-7,11H,3-5H2,1-2H3
InChIKeyXXTVSJFVAWYMIV-UHFFFAOYSA-N
XLogP0.45
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine?
The IUPAC name of 4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine (CID 114354060) is 4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine.
What is the SMILES notation for 4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine?
The canonical SMILES for 4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine is CCc1nnc2sc(C3COCC3NC)nn12.
What is the InChIKey of 4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine?
The InChIKey is XXTVSJFVAWYMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-3-8-12-13-10-15(8)14-9(17-10)6-4-16-5-7(6)11-2/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine?
4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine has a molecular weight of 253.33 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methyloxolan-3-amine is sourced from PubChem (CID 114354060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).