2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide

C9H13N5OS — CID 110401669

IUPAC2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCc1nn2cnnc2s1
InChIInChI=1S/C9H13N5OS/c1-9(2,3)7(15)10-4-6-13-14-5-11-12-8(14)16-6/h5H,4H2,1-3H3,(H,10,15)
InChIKeyIOZNEJNSSOLGEZ-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.85
Rot. Bonds2

About 2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide

2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide (PubChem CID 110401669) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide
PubChem CID110401669
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCc1nn2cnnc2s1
InChIInChI=1S/C9H13N5OS/c1-9(2,3)7(15)10-4-6-13-14-5-11-12-8(14)16-6/h5H,4H2,1-3H3,(H,10,15)
InChIKeyIOZNEJNSSOLGEZ-UHFFFAOYSA-N
XLogP0.85
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide (CID 110401669) is 2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide is CC(C)(C)C(=O)NCc1nn2cnnc2s1.
What is the InChIKey of 2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide?
The InChIKey is IOZNEJNSSOLGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-9(2,3)7(15)10-4-6-13-14-5-11-12-8(14)16-6/h5H,4H2,1-3H3,(H,10,15).
What are the key properties of 2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide?
2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide has a molecular weight of 239.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide is sourced from PubChem (CID 110401669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).