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

C9H15N5S — CID 114354108

IUPAC1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine
SMILESCCc1nnc2sc(CC(C)(C)N)nn12
InChIInChI=1S/C9H15N5S/c1-4-6-11-12-8-14(6)13-7(15-8)5-9(2,3)10/h4-5,10H2,1-3H3
InChIKeyYHARKKIDBQALQS-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.03
Rot. Bonds3

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

1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine (PubChem CID 114354108) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine
PubChem CID114354108
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine
SMILESCCc1nnc2sc(CC(C)(C)N)nn12
InChIInChI=1S/C9H15N5S/c1-4-6-11-12-8-14(6)13-7(15-8)5-9(2,3)10/h4-5,10H2,1-3H3
InChIKeyYHARKKIDBQALQS-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine (CID 114354108) is 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine is CCc1nnc2sc(CC(C)(C)N)nn12.
What is the InChIKey of 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine?
The InChIKey is YHARKKIDBQALQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-4-6-11-12-8-14(6)13-7(15-8)5-9(2,3)10/h4-5,10H2,1-3H3.
What are the key properties of 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine?
1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine has a molecular weight of 225.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 114354108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).