1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine

C8H11N5S — CID 114352327

IUPAC1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
SMILESCC(N)(c1nn2cnnc2s1)C1CC1
InChIInChI=1S/C8H11N5S/c1-8(9,5-2-3-5)6-12-13-4-10-11-7(13)14-6/h4-5H,2-3,9H2,1H3
InChIKeyAQMIMAJJWOOJHF-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.77
Rot. Bonds2

About 1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine

1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine (PubChem CID 114352327) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
PubChem CID114352327
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
SMILESCC(N)(c1nn2cnnc2s1)C1CC1
InChIInChI=1S/C8H11N5S/c1-8(9,5-2-3-5)6-12-13-4-10-11-7(13)14-6/h4-5H,2-3,9H2,1H3
InChIKeyAQMIMAJJWOOJHF-UHFFFAOYSA-N
XLogP0.77
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine (CID 114352327) is 1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine is CC(N)(c1nn2cnnc2s1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine?
The InChIKey is AQMIMAJJWOOJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-8(9,5-2-3-5)6-12-13-4-10-11-7(13)14-6/h4-5H,2-3,9H2,1H3.
What are the key properties of 1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine?
1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine has a molecular weight of 209.28 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine is sourced from PubChem (CID 114352327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).