6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C9H9F5N4O — CID 149153968

IUPAC6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESNC(=O)c1nnc2n1CC(C(F)(F)C(F)(F)F)CC2
InChIInChI=1S/C9H9F5N4O/c10-8(11,9(12,13)14)4-1-2-5-16-17-7(6(15)19)18(5)3-4/h4H,1-3H2,(H2,15,19)
InChIKeyRMQKZAPEOKGUJS-UHFFFAOYSA-N
MW284.19 g/mol
LogP1.14
Rot. Bonds2

About 6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 149153968) has the molecular formula C9H9F5N4O and a molecular weight of 284.19 g/mol. Its IUPAC name is 6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
PubChem CID149153968
Molecular FormulaC9H9F5N4O
Molecular Weight284.19 g/mol
Exact Mass284.07
IUPAC Name6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILESNC(=O)c1nnc2n1CC(C(F)(F)C(F)(F)F)CC2
InChIInChI=1S/C9H9F5N4O/c10-8(11,9(12,13)14)4-1-2-5-16-17-7(6(15)19)18(5)3-4/h4H,1-3H2,(H2,15,19)
InChIKeyRMQKZAPEOKGUJS-UHFFFAOYSA-N
XLogP1.14
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 72114194
[8-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 73994629
[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 71756351
2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
CID 67289694
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 131737192
6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 132182489
5-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 145225167
6-(1,1-Difluoro-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 145225608
5-[(4,4-Difluorocyclohexyl)methyl]-2-(3,3-difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175397026
2-(3,3-Difluorobutyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide
CID 175397158
5-[(4,4-Difluorocyclohexyl)methyl]-2-ethyl-1,2,4-triazole-3-carboxamide
CID 175397162
5-[(4,4-Difluorocyclohexyl)methyl]-2-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175397192

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 149153968) is 6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is NC(=O)c1nnc2n1CC(C(F)(F)C(F)(F)F)CC2.
What is the InChIKey of 6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
The InChIKey is RMQKZAPEOKGUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N4O/c10-8(11,9(12,13)14)4-1-2-5-16-17-7(6(15)19)18(5)3-4/h4H,1-3H2,(H2,15,19).
What are the key properties of 6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?
6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 284.19 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,2-pentafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 149153968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).