N-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C19H20F5N7OS — CID 129216730

IUPACN-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCc1cc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(OCC(F)(F)C(F)(F)F)nccn3n2)sn1
InChIInChI=1S/C19H20F5N7OS/c1-10-6-13(33-29-10)30-7-11-2-3-12(8-30)14(11)26-17-27-15-16(25-4-5-31(15)28-17)32-9-18(20,21)19(22,23)24/h4-6,11-12,14H,2-3,7-9H2,1H3,(H,26,28)/t11-,12+,14?
InChIKeyZXHPEVSEBDNMIS-ONXXMXGDSA-N
MW489.47 g/mol
LogP3.79
Rot. Bonds6

About N-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

N-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 129216730) has the molecular formula C19H20F5N7OS and a molecular weight of 489.47 g/mol. Its IUPAC name is N-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID129216730
Molecular FormulaC19H20F5N7OS
Molecular Weight489.47 g/mol
Exact Mass489.14
IUPAC NameN-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCc1cc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(OCC(F)(F)C(F)(F)F)nccn3n2)sn1
InChIInChI=1S/C19H20F5N7OS/c1-10-6-13(33-29-10)30-7-11-2-3-12(8-30)14(11)26-17-27-15-16(25-4-5-31(15)28-17)32-9-18(20,21)19(22,23)24/h4-6,11-12,14H,2-3,7-9H2,1H3,(H,26,28)/t11-,12+,14?
InChIKeyZXHPEVSEBDNMIS-ONXXMXGDSA-N
XLogP3.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine with MolForge

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Related Compounds

N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 146383618
N-[3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 137379538
8-[4-(difluoromethoxy)phenyl]-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 126674304
8-(2,2,3,3,3-pentafluoropropoxy)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129216702
8-(2-chloro-4-fluorophenyl)-N-[3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 126674451
3-methyl-5-[(1R,5S)-8-[[8-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole
CID 147113840
N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129216713
N-[3-(2-chloro-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129216536
3-methyl-5-[(1R,5S)-8-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole
CID 147277792
3-methyl-5-[(1R,5S)-8-[[8-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole
CID 161353120
3-methyl-5-[(1S,5R)-8-[[5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2-thiazole
CID 158193474
N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129232013

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of N-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 129216730) is N-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for N-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for N-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is Cc1cc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(OCC(F)(F)C(F)(F)F)nccn3n2)sn1.
What is the InChIKey of N-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is ZXHPEVSEBDNMIS-ONXXMXGDSA-N. The full InChI is InChI=1S/C19H20F5N7OS/c1-10-6-13(33-29-10)30-7-11-2-3-12(8-30)14(11)26-17-27-15-16(25-4-5-31(15)28-17)32-9-18(20,21)19(22,23)24/h4-6,11-12,14H,2-3,7-9H2,1H3,(H,26,28)/t11-,12+,14?.
What are the key properties of N-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
N-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 489.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 129216730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).