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

C4H6N6S — CID 82468081

IUPAC3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESNCc1nnc2sc(N)nn12
InChIInChI=1S/C4H6N6S/c5-1-2-7-8-4-10(2)9-3(6)11-4/h1,5H2,(H2,6,9)
InChIKeyQSEORNQEJKBPBU-UHFFFAOYSA-N
MW170.20 g/mol
LogP-0.77
Rot. Bonds1

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

3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (PubChem CID 82468081) has the molecular formula C4H6N6S and a molecular weight of 170.20 g/mol. Its IUPAC name is 3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.

Molecular Properties

Compound Name3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
PubChem CID82468081
Molecular FormulaC4H6N6S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESNCc1nnc2sc(N)nn12
InChIInChI=1S/C4H6N6S/c5-1-2-7-8-4-10(2)9-3(6)11-4/h1,5H2,(H2,6,9)
InChIKeyQSEORNQEJKBPBU-UHFFFAOYSA-N
XLogP-0.77
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 82479405
3-[(2,5-dimethylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 39374269
3-[2-(4-ethoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 39435547
3-[2-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 39397517
3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006566
7-amino-3-(2-hydroxyethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 130017325
3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006534
[3-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methanamine
CID 28812237
3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006555
3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 82473348
(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)hydrazine
CID 91679130
3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006565

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The IUPAC name of 3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CID 82468081) is 3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.
What is the SMILES notation for 3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The canonical SMILES for 3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is NCc1nnc2sc(N)nn12.
What is the InChIKey of 3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The InChIKey is QSEORNQEJKBPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6S/c5-1-2-7-8-4-10(2)9-3(6)11-4/h1,5H2,(H2,6,9).
What are the key properties of 3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine has a molecular weight of 170.20 g/mol, XLogP of -0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is sourced from PubChem (CID 82468081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).