N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C13H15F3N4O — CID 95905642

IUPACN-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1ccc2nncn2c1)C(F)(F)F
InChIInChI=1S/C13H15F3N4O/c1-12(2,3)11(13(14,15)16)18-10(21)8-4-5-9-19-17-7-20(9)6-8/h4-7,11H,1-3H3,(H,18,21)/t11-/m0/s1
InChIKeyCPOBDJCJWKWLDR-NSHDSACASA-N
MW300.28 g/mol
LogP2.44
Rot. Bonds2

About N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 95905642) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID95905642
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC NameN-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1ccc2nncn2c1)C(F)(F)F
InChIInChI=1S/C13H15F3N4O/c1-12(2,3)11(13(14,15)16)18-10(21)8-4-5-9-19-17-7-20(9)6-8/h4-7,11H,1-3H3,(H,18,21)/t11-/m0/s1
InChIKeyCPOBDJCJWKWLDR-NSHDSACASA-N
XLogP2.44
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide
CID 101120746
N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 56822521
N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 164614195
3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid
CID 75421347
N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167956957
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111565594
N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 71862115
N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166215287
N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
CID 166340505
N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136580054
piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 97211491
N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 164612204

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 95905642) is N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)(C)[C@H](NC(=O)c1ccc2nncn2c1)C(F)(F)F.
What is the InChIKey of N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is CPOBDJCJWKWLDR-NSHDSACASA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-12(2,3)11(13(14,15)16)18-10(21)8-4-5-9-19-17-7-20(9)6-8/h4-7,11H,1-3H3,(H,18,21)/t11-/m0/s1.
What are the key properties of N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 300.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 95905642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).