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

C13H21N5S — CID 114355828

IUPAC2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine
SMILESCC(C)CC(CN)c1nn2c(C3CCC3)nnc2s1
InChIInChI=1S/C13H21N5S/c1-8(2)6-10(7-14)12-17-18-11(9-4-3-5-9)15-16-13(18)19-12/h8-10H,3-7,14H2,1-2H3
InChIKeyKLRJDCUNESOFCN-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.54
Rot. Bonds5

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

2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine (PubChem CID 114355828) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine
PubChem CID114355828
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine
SMILESCC(C)CC(CN)c1nn2c(C3CCC3)nnc2s1
InChIInChI=1S/C13H21N5S/c1-8(2)6-10(7-14)12-17-18-11(9-4-3-5-9)15-16-13(18)19-12/h8-10H,3-7,14H2,1-2H3
InChIKeyKLRJDCUNESOFCN-UHFFFAOYSA-N
XLogP2.54
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354437
1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355882
3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114355792
2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114355869
2-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine
CID 114354868
1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114356350
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354358
2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine
CID 114353481
6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine
CID 114355597
2-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine
CID 114353751
3-cyclopentyl-6-(diethoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114356311
3-methyl-2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine
CID 114354933

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine?
The IUPAC name of 2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine (CID 114355828) is 2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine?
The canonical SMILES for 2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine is CC(C)CC(CN)c1nn2c(C3CCC3)nnc2s1.
What is the InChIKey of 2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine?
The InChIKey is KLRJDCUNESOFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-8(2)6-10(7-14)12-17-18-11(9-4-3-5-9)15-16-13(18)19-12/h8-10H,3-7,14H2,1-2H3.
What are the key properties of 2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine?
2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine has a molecular weight of 279.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 114355828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).