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

C18H27N3O2 — CID 126935541

IUPAC2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(NC3CCCC3O)CC1)CCC2
InChIInChI=1S/C18H27N3O2/c22-17-6-2-5-16(17)19-13-7-9-14(10-8-13)21-18(23)11-12-3-1-4-15(12)20-21/h11,13-14,16-17,19,22H,1-10H2
InChIKeyXAZYUCJIKLUMRP-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.72
Rot. Bonds3

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

2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126935541) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126935541
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(NC3CCCC3O)CC1)CCC2
InChIInChI=1S/C18H27N3O2/c22-17-6-2-5-16(17)19-13-7-9-14(10-8-13)21-18(23)11-12-3-1-4-15(12)20-21/h11,13-14,16-17,19,22H,1-10H2
InChIKeyXAZYUCJIKLUMRP-UHFFFAOYSA-N
XLogP1.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126935541) is 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1C1CCC(NC3CCCC3O)CC1)CCC2.
What is the InChIKey of 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is XAZYUCJIKLUMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-17-6-2-5-16(17)19-13-7-9-14(10-8-13)21-18(23)11-12-3-1-4-15(12)20-21/h11,13-14,16-17,19,22H,1-10H2.
What are the key properties of 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 317.43 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126935541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).