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

C6H9N5S — CID 114352402

IUPACN-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
SMILESCNC(C)c1nn2cnnc2s1
InChIInChI=1S/C6H9N5S/c1-4(7-2)5-10-11-3-8-9-6(11)12-5/h3-4,7H,1-2H3
InChIKeyQAWLLQRGZGWQPN-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.47
Rot. Bonds2

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

N-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine (PubChem CID 114352402) has the molecular formula C6H9N5S and a molecular weight of 183.24 g/mol. Its IUPAC name is N-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
PubChem CID114352402
Molecular FormulaC6H9N5S
Molecular Weight183.24 g/mol
Exact Mass183.06
IUPAC NameN-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
SMILESCNC(C)c1nn2cnnc2s1
InChIInChI=1S/C6H9N5S/c1-4(7-2)5-10-11-3-8-9-6(11)12-5/h3-4,7H,1-2H3
InChIKeyQAWLLQRGZGWQPN-UHFFFAOYSA-N
XLogP0.47
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
CID 114352274
2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine
CID 114352229
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
4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
CID 114352264
N-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine
CID 114352159
N-methyl-1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 114354902
N-tert-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385681
6-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30373538
2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide
CID 110401669
4-propan-2-yl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide
CID 110401780
1-cyclopropyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114352327

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine?
The IUPAC name of N-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine (CID 114352402) is N-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine.
What is the SMILES notation for N-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine?
The canonical SMILES for N-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine is CNC(C)c1nn2cnnc2s1.
What is the InChIKey of N-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine?
The InChIKey is QAWLLQRGZGWQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5S/c1-4(7-2)5-10-11-3-8-9-6(11)12-5/h3-4,7H,1-2H3.
What are the key properties of N-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine?
N-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine has a molecular weight of 183.24 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine is sourced from PubChem (CID 114352402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).