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

C17H25N3O — CID 126935446

IUPAC2-[4-(cyclobutylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(NC3CCC3)CC1)CCC2
InChIInChI=1S/C17H25N3O/c21-17-11-12-3-1-6-16(12)19-20(17)15-9-7-14(8-10-15)18-13-4-2-5-13/h11,13-15,18H,1-10H2
InChIKeyMFNYDCSKZVHLHS-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.36
Rot. Bonds3

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

2-[4-(cyclobutylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126935446) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[4-(cyclobutylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(cyclobutylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126935446
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[4-(cyclobutylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(NC3CCC3)CC1)CCC2
InChIInChI=1S/C17H25N3O/c21-17-11-12-3-1-6-16(12)19-20(17)15-9-7-14(8-10-15)18-13-4-2-5-13/h11,13-15,18H,1-10H2
InChIKeyMFNYDCSKZVHLHS-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[4-(cyclobutylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126935446) is 2-[4-(cyclobutylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[4-(cyclobutylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[4-(cyclobutylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1C1CCC(NC3CCC3)CC1)CCC2.
What is the InChIKey of 2-[4-(cyclobutylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is MFNYDCSKZVHLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17-11-12-3-1-6-16(12)19-20(17)15-9-7-14(8-10-15)18-13-4-2-5-13/h11,13-15,18H,1-10H2.
What are the key properties of 2-[4-(cyclobutylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[4-(cyclobutylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 287.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126935446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).