N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine

C10H17N5S — CID 114353532

IUPACN-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
SMILESCCNCc1nn2c(C(C)(C)C)nnc2s1
InChIInChI=1S/C10H17N5S/c1-5-11-6-7-14-15-8(10(2,3)4)12-13-9(15)16-7/h11H,5-6H2,1-4H3
InChIKeyZSGVBLUTDKWMTM-UHFFFAOYSA-N
MW239.35 g/mol
LogP1.59
Rot. Bonds3

About N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine

N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine (PubChem CID 114353532) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
PubChem CID114353532
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC NameN-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
SMILESCCNCc1nn2c(C(C)(C)C)nnc2s1
InChIInChI=1S/C10H17N5S/c1-5-11-6-7-14-15-8(10(2,3)4)12-13-9(15)16-7/h11H,5-6H2,1-4H3
InChIKeyZSGVBLUTDKWMTM-UHFFFAOYSA-N
XLogP1.59
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine?
The IUPAC name of N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine (CID 114353532) is N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine is CCNCc1nn2c(C(C)(C)C)nnc2s1.
What is the InChIKey of N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine?
The InChIKey is ZSGVBLUTDKWMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-5-11-6-7-14-15-8(10(2,3)4)12-13-9(15)16-7/h11H,5-6H2,1-4H3.
What are the key properties of N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine?
N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine has a molecular weight of 239.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine is sourced from PubChem (CID 114353532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).