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

C9H15N5S — CID 114352031

IUPAC2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
SMILESCCC(C)C(N)c1nn2c(C)nnc2s1
InChIInChI=1S/C9H15N5S/c1-4-5(2)7(10)8-13-14-6(3)11-12-9(14)15-8/h5,7H,4,10H2,1-3H3
InChIKeyOFUAWXQPNFXWQJ-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.54
Rot. Bonds3

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

2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine (PubChem CID 114352031) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
PubChem CID114352031
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
SMILESCCC(C)C(N)c1nn2c(C)nnc2s1
InChIInChI=1S/C9H15N5S/c1-4-5(2)7(10)8-13-14-6(3)11-12-9(14)15-8/h5,7H,4,10H2,1-3H3
InChIKeyOFUAWXQPNFXWQJ-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine (CID 114352031) is 2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine is CCC(C)C(N)c1nn2c(C)nnc2s1.
What is the InChIKey of 2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine?
The InChIKey is OFUAWXQPNFXWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-4-5(2)7(10)8-13-14-6(3)11-12-9(14)15-8/h5,7H,4,10H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine?
2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine has a molecular weight of 225.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine is sourced from PubChem (CID 114352031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).