5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C84H129F5N26O — CID 157069014

IUPAC5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1ncc2n1C1CC1C2.CC(C)c1nnc2ccccn12.CC(C)c1nnc2n1C(C)(C)CCC2.CC(C)c1nnc2n1C(F)(F)CCC2.CC(C)c1nnc2n1C(F)CCC2.CC(C)c1nnc2n1CCOC2.CC(C)c1nnc2n1[C@@H](C)CCC2.CC(C)c1nnc2n1[C@@H](F)CCC2.CC(C)c1nnc2n1[C@H](F)CCC2
InChIInChI=1S/C11H19N3.C10H17N3.C10H14N2.C9H13F2N3.3C9H14FN3.C9H11N3.C8H13N3O/c1-8(2)10-13-12-9-6-5-7-11(3,4)14(9)10;1-7(2)10-12-11-9-6-4-5-8(3)13(9)10;1-6(2)10-11-5-8-3-7-4-9(7)12(8)10;1-6(2)8-13-12-7-4-3-5-9(10,11)14(7)8;3*1-6(2)9-12-11-8-5-3-4-7(10)13(8)9;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-6(2)8-10-9-7-5-12-4-3-11(7)8/h8H,5-7H2,1-4H3;7-8H,4-6H2,1-3H3;5-7,9H,3-4H2,1-2H3;6H,3-5H2,1-2H3;3*6-7H,3-5H2,1-2H3;3-7H,1-2H3;6H,3-5H2,1-2H3/t;8-;;;2*7-;;;/m.0..10.../s1
InChIKeyACFBDYVZHOQYHB-RDFYXLBCSA-N
MW1614.13 g/mol
LogP18.58
Rot. Bonds9

About 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 157069014) has the molecular formula C84H129F5N26O and a molecular weight of 1614.13 g/mol. Its IUPAC name is 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID157069014
Molecular FormulaC84H129F5N26O
Molecular Weight1614.13 g/mol
Exact Mass1613.08
IUPAC Name5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1ncc2n1C1CC1C2.CC(C)c1nnc2ccccn12.CC(C)c1nnc2n1C(C)(C)CCC2.CC(C)c1nnc2n1C(F)(F)CCC2.CC(C)c1nnc2n1C(F)CCC2.CC(C)c1nnc2n1CCOC2.CC(C)c1nnc2n1[C@@H](C)CCC2.CC(C)c1nnc2n1[C@@H](F)CCC2.CC(C)c1nnc2n1[C@H](F)CCC2
InChIInChI=1S/C11H19N3.C10H17N3.C10H14N2.C9H13F2N3.3C9H14FN3.C9H11N3.C8H13N3O/c1-8(2)10-13-12-9-6-5-7-11(3,4)14(9)10;1-7(2)10-12-11-9-6-4-5-8(3)13(9)10;1-6(2)10-11-5-8-3-7-4-9(7)12(8)10;1-6(2)8-13-12-7-4-3-5-9(10,11)14(7)8;3*1-6(2)9-12-11-8-5-3-4-7(10)13(8)9;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-6(2)8-10-9-7-5-12-4-3-11(7)8/h8H,5-7H2,1-4H3;7-8H,4-6H2,1-3H3;5-7,9H,3-4H2,1-2H3;6H,3-5H2,1-2H3;3*6-7H,3-5H2,1-2H3;3-7H,1-2H3;6H,3-5H2,1-2H3/t;8-;;;2*7-;;;/m.0..10.../s1
InChIKeyACFBDYVZHOQYHB-RDFYXLBCSA-N
XLogP18.58
TPSA272.21 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds9
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001614.13
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

4-[2-[(4-Tert-butylpiperazin-1-yl)methyl]-5-[2-(difluoromethyl)imidazo[4,5-c]pyridin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 140863812
1,3-bis(3,5-dimethylpiperidin-1-yl)-1,3-bis[6-[(2R)-2-(6-fluoro-2-pyridinyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propan-2-one
CID 141727665
(1R,3R)-1,3-bis[6-[2-(6-fluoro-2-pyridinyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-bis(4-methylpiperidin-1-yl)propan-2-one
CID 141727676
(1R,3R)-1,3-bis[6-[2-(6-fluoro-2-pyridinyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-dimorpholin-4-ylpropan-2-one
CID 141727687
CID 157180031
CID 157180031
1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine
CID 157364601
2,6-bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;2,6-bis[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;methylbenzene;tris(platinum(2+));bis(pyridine)
CID 157554926
CID 157668004
CID 157668004
4',10'-Dimethyl-4-(trifluoromethyl)spiro[3,5,6,11-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];11'-fluoro-4'-methyl-4-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];4'-methyl-4,11'-bis(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]
CID 157756786
3',4'-Dimethyl-4-(trifluoromethyl)-7,7'-spirobi[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3',4'-dimethyl-4-(trifluoromethyl)spiro[3,5,6,11-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];4-methyl-4',11-bis(trifluoromethyl)spiro[3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]
CID 158054637
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 158551886
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 158622226

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 157069014) is 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1ncc2n1C1CC1C2.CC(C)c1nnc2ccccn12.CC(C)c1nnc2n1C(C)(C)CCC2.CC(C)c1nnc2n1C(F)(F)CCC2.CC(C)c1nnc2n1C(F)CCC2.CC(C)c1nnc2n1CCOC2.CC(C)c1nnc2n1[C@@H](C)CCC2.CC(C)c1nnc2n1[C@@H](F)CCC2.CC(C)c1nnc2n1[C@H](F)CCC2.
What is the InChIKey of 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ACFBDYVZHOQYHB-RDFYXLBCSA-N. The full InChI is InChI=1S/C11H19N3.C10H17N3.C10H14N2.C9H13F2N3.3C9H14FN3.C9H11N3.C8H13N3O/c1-8(2)10-13-12-9-6-5-7-11(3,4)14(9)10;1-7(2)10-12-11-9-6-4-5-8(3)13(9)10;1-6(2)10-11-5-8-3-7-4-9(7)12(8)10;1-6(2)8-13-12-7-4-3-5-9(10,11)14(7)8;3*1-6(2)9-12-11-8-5-3-4-7(10)13(8)9;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-6(2)8-10-9-7-5-12-4-3-11(7)8/h8H,5-7H2,1-4H3;7-8H,4-6H2,1-3H3;5-7,9H,3-4H2,1-2H3;6H,3-5H2,1-2H3;3*6-7H,3-5H2,1-2H3;3-7H,1-2H3;6H,3-5H2,1-2H3/t;8-;;;2*7-;;;/m.0..10.../s1.
What are the key properties of 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 1614.13 g/mol, XLogP of 18.58, 9 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyridine;5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;(5S)-5-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;9-propan-2-yl-1,8-diazatricyclo[4.3.0.02,4]nona-6,8-diene;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 157069014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).