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

C7H11N5S — CID 114352244

IUPAC2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine
SMILESCC(CN)Cc1nn2cnnc2s1
InChIInChI=1S/C7H11N5S/c1-5(3-8)2-6-11-12-4-9-10-7(12)13-6/h4-5H,2-3,8H2,1H3
InChIKeyFYNYXSWUUVLCJG-UHFFFAOYSA-N
MW197.27 g/mol
LogP0.32
Rot. Bonds3

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

2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine (PubChem CID 114352244) has the molecular formula C7H11N5S and a molecular weight of 197.27 g/mol. Its IUPAC name is 2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine
PubChem CID114352244
Molecular FormulaC7H11N5S
Molecular Weight197.27 g/mol
Exact Mass197.07
IUPAC Name2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine
SMILESCC(CN)Cc1nn2cnnc2s1
InChIInChI=1S/C7H11N5S/c1-5(3-8)2-6-11-12-4-9-10-7(12)13-6/h4-5H,2-3,8H2,1H3
InChIKeyFYNYXSWUUVLCJG-UHFFFAOYSA-N
XLogP0.32
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
CID 114352264
2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride
CID 52983646
2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine
CID 114352229
3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
CID 114352274
N-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine
CID 114352159
3-(6-bromo-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 81073032
2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide
CID 110401669
N-methyl-1-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114352402
4-propan-2-yl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide
CID 110401780
2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethoxy)acetic acid
CID 114351906
6-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 41111237
N-tert-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385681

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine (CID 114352244) is 2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine is CC(CN)Cc1nn2cnnc2s1.
What is the InChIKey of 2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine?
The InChIKey is FYNYXSWUUVLCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5S/c1-5(3-8)2-6-11-12-4-9-10-7(12)13-6/h4-5H,2-3,8H2,1H3.
What are the key properties of 2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine?
2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine has a molecular weight of 197.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine is sourced from PubChem (CID 114352244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).