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

C9H15N5S — CID 114354571

IUPAC1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine
SMILESCCC(N)c1nn2c(C(C)C)nnc2s1
InChIInChI=1S/C9H15N5S/c1-4-6(10)8-13-14-7(5(2)3)11-12-9(14)15-8/h5-6H,4,10H2,1-3H3
InChIKeySGYKUAZMGCOBGA-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.72
Rot. Bonds3

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

1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine (PubChem CID 114354571) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine
PubChem CID114354571
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine
SMILESCCC(N)c1nn2c(C(C)C)nnc2s1
InChIInChI=1S/C9H15N5S/c1-4-6(10)8-13-14-7(5(2)3)11-12-9(14)15-8/h5-6H,4,10H2,1-3H3
InChIKeySGYKUAZMGCOBGA-UHFFFAOYSA-N
XLogP1.72
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354523
cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
CID 114354745
1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
CID 114354545
1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine
CID 114354591
N-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine
CID 114354701
N-[(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
CID 114354697
2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114352031
methyl 2-cyclopentyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate
CID 114352533
1-[3-(methoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbutan-1-amine
CID 114355366
4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 17334054
5-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzene-1,3-diamine
CID 107811568
4-methyl-3-[2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pentan-1-amine
CID 114354548

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine?
The IUPAC name of 1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine (CID 114354571) is 1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine.
What is the SMILES notation for 1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine?
The canonical SMILES for 1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine is CCC(N)c1nn2c(C(C)C)nnc2s1.
What is the InChIKey of 1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine?
The InChIKey is SGYKUAZMGCOBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-4-6(10)8-13-14-7(5(2)3)11-12-9(14)15-8/h5-6H,4,10H2,1-3H3.
What are the key properties of 1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine?
1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine has a molecular weight of 225.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine is sourced from PubChem (CID 114354571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).