9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone

C22H24N4OS — CID 166222292

IUPAC9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
SMILESO=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CC2CCCCCCC21
InChIInChI=1S/C22H24N4OS/c27-22(25-15-16-9-4-1-2-7-12-18(16)25)20-23-21(19-13-8-14-28-19)26(24-20)17-10-5-3-6-11-17/h3,5-6,8,10-11,13-14,16,18H,1-2,4,7,9,12,15H2
InChIKeySEXRRWRBNXAMEN-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.79
Rot. Bonds3

About 9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone

9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone (PubChem CID 166222292) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
PubChem CID166222292
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
SMILESO=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CC2CCCCCCC21
InChIInChI=1S/C22H24N4OS/c27-22(25-15-16-9-4-1-2-7-12-18(16)25)20-23-21(19-13-8-14-28-19)26(24-20)17-10-5-3-6-11-17/h3,5-6,8,10-11,13-14,16,18H,1-2,4,7,9,12,15H2
InChIKeySEXRRWRBNXAMEN-UHFFFAOYSA-N
XLogP4.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone with MolForge

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Related Compounds

(3S)-1-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119174031
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 120656744
[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 166188039
4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide
CID 49418267
1-[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356924
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17495791
[1-(cyclopentylamino)-1-oxopropan-2-yl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 46509385
N-cyclopentyl-N-cyclopropyl-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 166198046
2-[4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]propanamide
CID 86953681
N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 96534362
4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 51476599

Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of 9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone (CID 166222292) is 9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for 9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for 9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone is O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CC2CCCCCCC21.
What is the InChIKey of 9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone?
The InChIKey is SEXRRWRBNXAMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c27-22(25-15-16-9-4-1-2-7-12-18(16)25)20-23-21(19-13-8-14-28-19)26(24-20)17-10-5-3-6-11-17/h3,5-6,8,10-11,13-14,16,18H,1-2,4,7,9,12,15H2.
What are the key properties of 9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone?
9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone has a molecular weight of 392.53 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 166222292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).