6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one

C17H25N3O2 — CID 126935190

IUPAC6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1CCC(NC2CCC2O)CC1
InChIInChI=1S/C17H25N3O2/c21-16-9-7-15(16)18-12-3-5-13(6-4-12)20-17(22)10-8-14(19-20)11-1-2-11/h8,10-13,15-16,18,21H,1-7,9H2
InChIKeyGCQIQNUQLDJKEA-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.72
Rot. Bonds4

About 6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one

6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126935190) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126935190
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1CCC(NC2CCC2O)CC1
InChIInChI=1S/C17H25N3O2/c21-16-9-7-15(16)18-12-3-5-13(6-4-12)20-17(22)10-8-14(19-20)11-1-2-11/h8,10-13,15-16,18,21H,1-7,9H2
InChIKeyGCQIQNUQLDJKEA-UHFFFAOYSA-N
XLogP1.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one (CID 126935190) is 6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1C1CCC(NC2CCC2O)CC1.
What is the InChIKey of 6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is GCQIQNUQLDJKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-16-9-7-15(16)18-12-3-5-13(6-4-12)20-17(22)10-8-14(19-20)11-1-2-11/h8,10-13,15-16,18,21H,1-7,9H2.
What are the key properties of 6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one?
6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 303.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126935190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).