5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine

C14H23N5S — CID 114355934

IUPAC5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine
SMILESCC(C)(CCN)CCc1nn2c(C3CCC3)nnc2s1
InChIInChI=1S/C14H23N5S/c1-14(2,8-9-15)7-6-11-18-19-12(10-4-3-5-10)16-17-13(19)20-11/h10H,3-9,15H2,1-2H3
InChIKeyWDKUOTPLSKUSIH-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.76
Rot. Bonds6

About 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine

5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine (PubChem CID 114355934) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine
PubChem CID114355934
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine
SMILESCC(C)(CCN)CCc1nn2c(C3CCC3)nnc2s1
InChIInChI=1S/C14H23N5S/c1-14(2,8-9-15)7-6-11-18-19-12(10-4-3-5-10)16-17-13(19)20-11/h10H,3-9,15H2,1-2H3
InChIKeyWDKUOTPLSKUSIH-UHFFFAOYSA-N
XLogP2.76
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355495
1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine
CID 114355673
4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354481
N-[(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
CID 114355890
3-cyclopentyl-6-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355497
3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114355792
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide
CID 110401207
N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine
CID 114354348
3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol
CID 114356354
1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355882
2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114355869
5-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentanoic acid
CID 114352770

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine?
The IUPAC name of 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine (CID 114355934) is 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine is CC(C)(CCN)CCc1nn2c(C3CCC3)nnc2s1.
What is the InChIKey of 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine?
The InChIKey is WDKUOTPLSKUSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-14(2,8-9-15)7-6-11-18-19-12(10-4-3-5-10)16-17-13(19)20-11/h10H,3-9,15H2,1-2H3.
What are the key properties of 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine?
5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 114355934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).