5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C19H24F3N7OS — CID 129232155

About 5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 129232155) has the molecular formula C19H24F3N7OS and a molecular weight of 455.51 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 129232155
• Molecular Formula: C19H24F3N7OS
• Molecular Weight: 455.51 g/mol
• Exact Mass: 455.17
• IUPAC Name: 5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: C=C[C@@H](Nc1nc2c(OCC(F)(F)F)ccc(C)n2n1)C1CCN(C2=NC(C)NS2)C1
• InChI: InChI=1S/C19H24F3N7OS/c1-4-14(13-7-8-28(9-13)18-23-12(3)27-31-18)24-17-25-16-15(30-10-19(20,21)22)6-5-11(2)29(16)26-17/h4-6,12-14,27H,1,7-10H2,2-3H3,(H,24,26)/t12?,13?,14-/m1/s1
• InChIKey: PUAQNSHFWNYUCD-JXQTWKCFSA-N
• XLogP: 3.22
• TPSA: 79.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.51
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129232155) is 5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is C=C[C@@H](Nc1nc2c(OCC(F)(F)F)ccc(C)n2n1)C1CCN(C2=NC(C)NS2)C1.

What is the InChIKey of 5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is PUAQNSHFWNYUCD-JXQTWKCFSA-N. The full InChI is InChI=1S/C19H24F3N7OS/c1-4-14(13-7-8-28(9-13)18-23-12(3)27-31-18)24-17-25-16-15(30-10-19(20,21)22)6-5-11(2)29(16)26-17/h4-6,12-14,27H,1,7-10H2,2-3H3,(H,24,26)/t12?,13?,14-/m1/s1.

What are the key properties of 5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 455.51 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[(1R)-1-[1-(3-methyl-2,3-dihydro-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 129232155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).