N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide

C12H16N6O2S — CID 110401413

About N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide

N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide (PubChem CID 110401413) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide
• PubChem CID: 110401413
• Molecular Formula: C12H16N6O2S
• Molecular Weight: 308.37 g/mol
• Exact Mass: 308.11
• IUPAC Name: N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide
• SMILES: O=C(NCc1nn2c(C3CC3)nnc2s1)N1CCOCC1
• InChI: InChI=1S/C12H16N6O2S/c19-11(17-3-5-20-6-4-17)13-7-9-16-18-10(8-1-2-8)14-15-12(18)21-9/h8H,1-7H2,(H,13,19)
• InChIKey: SJJODMNGQPXVLH-UHFFFAOYSA-N
• XLogP: 0.61
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.37
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide?

The IUPAC name of N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide (CID 110401413) is N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide?

The canonical SMILES for N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide is O=C(NCc1nn2c(C3CC3)nnc2s1)N1CCOCC1.

What is the InChIKey of N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide?

The InChIKey is SJJODMNGQPXVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c19-11(17-3-5-20-6-4-17)13-7-9-16-18-10(8-1-2-8)14-15-12(18)21-9/h8H,1-7H2,(H,13,19).

What are the key properties of N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide?

N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 110401413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).