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

C9H15N5S — CID 114352158

IUPAC4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine
SMILESCc1nnc2sc(C(C)CCCN)nn12
InChIInChI=1S/C9H15N5S/c1-6(4-3-5-10)8-13-14-7(2)11-12-9(14)15-8/h6H,3-5,10H2,1-2H3
InChIKeyAEKQHXYWUGFFIY-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.34
Rot. Bonds4

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

4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine (PubChem CID 114352158) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine.

Molecular Properties

Compound Name4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine
PubChem CID114352158
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine
SMILESCc1nnc2sc(C(C)CCCN)nn12
InChIInChI=1S/C9H15N5S/c1-6(4-3-5-10)8-13-14-7(2)11-12-9(14)15-8/h6H,3-5,10H2,1-2H3
InChIKeyAEKQHXYWUGFFIY-UHFFFAOYSA-N
XLogP1.34
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 130168016
6-heptan-4-yl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11673134
2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114352031
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354358
3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114355792
2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 28812164
5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine
CID 114352120
(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
CID 28812162
6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine
CID 114355597
6-[1-(azetidin-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114352121
2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-1-amine
CID 114352773
2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol
CID 130624041

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine?
The IUPAC name of 4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine (CID 114352158) is 4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine.
What is the SMILES notation for 4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine?
The canonical SMILES for 4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine is Cc1nnc2sc(C(C)CCCN)nn12.
What is the InChIKey of 4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine?
The InChIKey is AEKQHXYWUGFFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-6(4-3-5-10)8-13-14-7(2)11-12-9(14)15-8/h6H,3-5,10H2,1-2H3.
What are the key properties of 4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine?
4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine has a molecular weight of 225.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-1-amine is sourced from PubChem (CID 114352158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).