(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine

C20H19N5O2 — CID 177366740

IUPAC(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine
SMILESCc1cc([C@@H](C)N)c2oc3c(C45CC4(c4nc(C)no4)C5)cnnc3c2c1
InChIInChI=1S/C20H19N5O2/c1-9-4-12(10(2)21)16-13(5-9)15-17(26-16)14(6-22-24-15)19-7-20(19,8-19)18-23-11(3)25-27-18/h4-6,10H,7-8,21H2,1-3H3/t10-,19?,20?/m1/s1
InChIKeyFRGKHUSUJIJLGH-SYQJXSBHSA-N
MW361.41 g/mol
LogP3.38
Rot. Bonds3

About (1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine

(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine (PubChem CID 177366740) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is (1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine
PubChem CID177366740
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine
SMILESCc1cc([C@@H](C)N)c2oc3c(C45CC4(c4nc(C)no4)C5)cnnc3c2c1
InChIInChI=1S/C20H19N5O2/c1-9-4-12(10(2)21)16-13(5-9)15-17(26-16)14(6-22-24-15)19-7-20(19,8-19)18-23-11(3)25-27-18/h4-6,10H,7-8,21H2,1-3H3/t10-,19?,20?/m1/s1
InChIKeyFRGKHUSUJIJLGH-SYQJXSBHSA-N
XLogP3.38
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine?
The IUPAC name of (1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine (CID 177366740) is (1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine.
What is the SMILES notation for (1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine?
The canonical SMILES for (1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine is Cc1cc([C@@H](C)N)c2oc3c(C45CC4(c4nc(C)no4)C5)cnnc3c2c1.
What is the InChIKey of (1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine?
The InChIKey is FRGKHUSUJIJLGH-SYQJXSBHSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-9-4-12(10(2)21)16-13(5-9)15-17(26-16)14(6-22-24-15)19-7-20(19,8-19)18-23-11(3)25-27-18/h4-6,10H,7-8,21H2,1-3H3/t10-,19?,20?/m1/s1.
What are the key properties of (1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine?
(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine has a molecular weight of 361.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.0]butanyl]-[1]benzofuro[3,2-c]pyridazin-6-yl]ethanamine is sourced from PubChem (CID 177366740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).