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

C13H23N5S — CID 114353365

IUPACN-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1nn2c(C(C)(C)C)nnc2s1
InChIInChI=1S/C13H23N5S/c1-12(2,3)10-15-16-11-18(10)17-9(19-11)7-8-14-13(4,5)6/h14H,7-8H2,1-6H3
InChIKeyYBFUQCZVUZZRJC-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.41
Rot. Bonds3

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

N-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 114353365) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is N-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine
PubChem CID114353365
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC NameN-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1nn2c(C(C)(C)C)nnc2s1
InChIInChI=1S/C13H23N5S/c1-12(2,3)10-15-16-11-18(10)17-9(19-11)7-8-14-13(4,5)6/h14H,7-8H2,1-6H3
InChIKeyYBFUQCZVUZZRJC-UHFFFAOYSA-N
XLogP2.41
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
CID 114353532
2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine
CID 114353197
3,6-ditert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 164706286
1-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methylbutan-2-amine
CID 114353486
N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide
CID 110401910
3-tert-butyl-6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4973771
1,1-dimethyl-3-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]urea
CID 110401897
3-tert-butyl-6-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6490936
N-propan-2-yl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-1-amine
CID 114352901
N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-3-chloroaniline
CID 114353537
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine
CID 114352100
2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 28812164

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine (CID 114353365) is N-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1nn2c(C(C)(C)C)nnc2s1.
What is the InChIKey of N-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is YBFUQCZVUZZRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-12(2,3)10-15-16-11-18(10)17-9(19-11)7-8-14-13(4,5)6/h14H,7-8H2,1-6H3.
What are the key properties of N-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 281.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114353365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).