2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C16H21N5O2 — CID 56827492

IUPAC2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCc1nc(C2(NCn3nc4c(cc3=O)CCC4)CCCC2)no1
InChIInChI=1S/C16H21N5O2/c1-11-18-15(20-23-11)16(7-2-3-8-16)17-10-21-14(22)9-12-5-4-6-13(12)19-21/h9,17H,2-8,10H2,1H3
InChIKeyBHOPBQASTUZHHT-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.44
Rot. Bonds4

About 2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 56827492) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID56827492
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCc1nc(C2(NCn3nc4c(cc3=O)CCC4)CCCC2)no1
InChIInChI=1S/C16H21N5O2/c1-11-18-15(20-23-11)16(7-2-3-8-16)17-10-21-14(22)9-12-5-4-6-13(12)19-21/h9,17H,2-8,10H2,1H3
InChIKeyBHOPBQASTUZHHT-UHFFFAOYSA-N
XLogP1.44
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione
CID 56819906
1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one
CID 56820390
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 52571685
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869869
2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126857417
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86982746
methyl 3-methyl-5-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]methyl]furan-2-carboxylate
CID 71935847
2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 51098350
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55872142
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]methanesulfonamide
CID 47180721
N-[1-(4-fluorophenyl)ethyl]-2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]acetamide
CID 86865365
2-(methylamino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 119701756

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 56827492) is 2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is Cc1nc(C2(NCn3nc4c(cc3=O)CCC4)CCCC2)no1.
What is the InChIKey of 2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is BHOPBQASTUZHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-18-15(20-23-11)16(7-2-3-8-16)17-10-21-14(22)9-12-5-4-6-13(12)19-21/h9,17H,2-8,10H2,1H3.
What are the key properties of 2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 315.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 56827492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).