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

C12H17N5OS — CID 114355721

IUPAC4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine
SMILESCC1(c2nn3c(C4CCC4)nnc3s2)COCC1N
InChIInChI=1S/C12H17N5OS/c1-12(6-18-5-8(12)13)10-16-17-9(7-3-2-4-7)14-15-11(17)19-10/h7-8H,2-6,13H2,1H3
InChIKeyYUHNDLIBDLQTDY-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.07
Rot. Bonds2

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

4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine (PubChem CID 114355721) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine
PubChem CID114355721
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine
SMILESCC1(c2nn3c(C4CCC4)nnc3s2)COCC1N
InChIInChI=1S/C12H17N5OS/c1-12(6-18-5-8(12)13)10-16-17-9(7-3-2-4-7)14-15-11(17)19-10/h7-8H,2-6,13H2,1H3
InChIKeyYUHNDLIBDLQTDY-UHFFFAOYSA-N
XLogP1.07
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine?
The IUPAC name of 4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine (CID 114355721) is 4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine.
What is the SMILES notation for 4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine?
The canonical SMILES for 4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine is CC1(c2nn3c(C4CCC4)nnc3s2)COCC1N.
What is the InChIKey of 4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine?
The InChIKey is YUHNDLIBDLQTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-12(6-18-5-8(12)13)10-16-17-9(7-3-2-4-7)14-15-11(17)19-10/h7-8H,2-6,13H2,1H3.
What are the key properties of 4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine?
4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine has a molecular weight of 279.37 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine is sourced from PubChem (CID 114355721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).