2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C16H23N3O2 — CID 126935561

IUPAC2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(NC3COC3)CC1)CCC2
InChIInChI=1S/C16H23N3O2/c20-16-8-11-2-1-3-15(11)18-19(16)14-6-4-12(5-7-14)17-13-9-21-10-13/h8,12-14,17H,1-7,9-10H2
InChIKeyOSNUXXFSAMSGRY-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.20
Rot. Bonds3

About 2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126935561) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126935561
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(NC3COC3)CC1)CCC2
InChIInChI=1S/C16H23N3O2/c20-16-8-11-2-1-3-15(11)18-19(16)14-6-4-12(5-7-14)17-13-9-21-10-13/h8,12-14,17H,1-7,9-10H2
InChIKeyOSNUXXFSAMSGRY-UHFFFAOYSA-N
XLogP1.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 126935558
CID 126935558
CID 92128133
CID 92128133
CID 121199722
CID 121199722
CID 126934867
CID 126934867
CID 126935224
CID 126935224
CID 126935261
CID 126935261
CID 126935276
CID 126935276
CID 126935291
CID 126935291
CID 126935361
CID 126935361
CID 126935392
CID 126935392
CID 126935446
CID 126935446
CID 126935454
CID 126935454

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126935561) is 2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1C1CCC(NC3COC3)CC1)CCC2.
What is the InChIKey of 2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is OSNUXXFSAMSGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16-8-11-2-1-3-15(11)18-19(16)14-6-4-12(5-7-14)17-13-9-21-10-13/h8,12-14,17H,1-7,9-10H2.
What are the key properties of 2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxetan-3-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126935561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).