2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C19H29N3O2 — CID 126935537

IUPAC2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(NCC3(O)CCCC3)CC1)CCC2
InChIInChI=1S/C19H29N3O2/c23-18-12-14-4-3-5-17(14)21-22(18)16-8-6-15(7-9-16)20-13-19(24)10-1-2-11-19/h12,15-16,20,24H,1-11,13H2
InChIKeyIILHKIVEEXAJLI-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.11
Rot. Bonds4

About 2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126935537) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126935537
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(NCC3(O)CCCC3)CC1)CCC2
InChIInChI=1S/C19H29N3O2/c23-18-12-14-4-3-5-17(14)21-22(18)16-8-6-15(7-9-16)20-13-19(24)10-1-2-11-19/h12,15-16,20,24H,1-11,13H2
InChIKeyIILHKIVEEXAJLI-UHFFFAOYSA-N
XLogP2.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126935537) is 2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1C1CCC(NCC3(O)CCCC3)CC1)CCC2.
What is the InChIKey of 2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is IILHKIVEEXAJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-18-12-14-4-3-5-17(14)21-22(18)16-8-6-15(7-9-16)20-13-19(24)10-1-2-11-19/h12,15-16,20,24H,1-11,13H2.
What are the key properties of 2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 331.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-hydroxycyclopentyl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126935537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).