6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one

C19H17ClN8O2 — CID 142422191

IUPAC6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one
SMILESCn1nnc2ncn(Cc3nc(C4[C@H]5CN(c6cccc(Cl)c6)C[C@@H]45)no3)c(=O)c21
InChIInChI=1S/C19H17ClN8O2/c1-26-16-18(23-25-26)21-9-28(19(16)29)8-14-22-17(24-30-14)15-12-6-27(7-13(12)15)11-4-2-3-10(20)5-11/h2-5,9,12-13,15H,6-8H2,1H3/t12-,13+,15?
InChIKeyZIKZMIAHXLHIRK-NNQSOWQGSA-N
MW424.85 g/mol
LogP1.46
Rot. Bonds4

About 6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one

6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one (PubChem CID 142422191) has the molecular formula C19H17ClN8O2 and a molecular weight of 424.85 g/mol. Its IUPAC name is 6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one
PubChem CID142422191
Molecular FormulaC19H17ClN8O2
Molecular Weight424.85 g/mol
Exact Mass424.12
IUPAC Name6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one
SMILESCn1nnc2ncn(Cc3nc(C4[C@H]5CN(c6cccc(Cl)c6)C[C@@H]45)no3)c(=O)c21
InChIInChI=1S/C19H17ClN8O2/c1-26-16-18(23-25-26)21-9-28(19(16)29)8-14-22-17(24-30-14)15-12-6-27(7-13(12)15)11-4-2-3-10(20)5-11/h2-5,9,12-13,15H,6-8H2,1H3/t12-,13+,15?
InChIKeyZIKZMIAHXLHIRK-NNQSOWQGSA-N
XLogP1.46
TPSA107.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.85
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one (CID 142422191) is 6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one is Cn1nnc2ncn(Cc3nc(C4[C@H]5CN(c6cccc(Cl)c6)C[C@@H]45)no3)c(=O)c21.
What is the InChIKey of 6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one?
The InChIKey is ZIKZMIAHXLHIRK-NNQSOWQGSA-N. The full InChI is InChI=1S/C19H17ClN8O2/c1-26-16-18(23-25-26)21-9-28(19(16)29)8-14-22-17(24-30-14)15-12-6-27(7-13(12)15)11-4-2-3-10(20)5-11/h2-5,9,12-13,15H,6-8H2,1H3/t12-,13+,15?.
What are the key properties of 6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one?
6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one has a molecular weight of 424.85 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 142422191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).