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

C7H11N5S — CID 114352274

IUPAC3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
SMILESCC(N)C(C)c1nn2cnnc2s1
InChIInChI=1S/C7H11N5S/c1-4(5(2)8)6-11-12-3-9-10-7(12)13-6/h3-5H,8H2,1-2H3
InChIKeyIARALWYRNITYPK-UHFFFAOYSA-N
MW197.27 g/mol
LogP0.64
Rot. Bonds2

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

3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine (PubChem CID 114352274) has the molecular formula C7H11N5S and a molecular weight of 197.27 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine.

Molecular Properties

Compound Name3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
PubChem CID114352274
Molecular FormulaC7H11N5S
Molecular Weight197.27 g/mol
Exact Mass197.07
IUPAC Name3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
SMILESCC(N)C(C)c1nn2cnnc2s1
InChIInChI=1S/C7H11N5S/c1-4(5(2)8)6-11-12-3-9-10-7(12)13-6/h3-5H,8H2,1-2H3
InChIKeyIARALWYRNITYPK-UHFFFAOYSA-N
XLogP0.64
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114352402
4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
CID 114352264
6-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 41111237
2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine
CID 114352244
1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114352327
2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine
CID 114352229
1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride
CID 82020630
6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114352291
6-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30373538
2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride
CID 52983646
5-chloro-2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 82481344
N,N-dipropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384657

Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine?
The IUPAC name of 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine (CID 114352274) is 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine.
What is the SMILES notation for 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine?
The canonical SMILES for 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine is CC(N)C(C)c1nn2cnnc2s1.
What is the InChIKey of 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine?
The InChIKey is IARALWYRNITYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5S/c1-4(5(2)8)6-11-12-3-9-10-7(12)13-6/h3-5H,8H2,1-2H3.
What are the key properties of 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine?
3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine has a molecular weight of 197.27 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine is sourced from PubChem (CID 114352274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).