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

C15H23N3O2 — CID 126934833

IUPAC2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(NC3CCC3O)CC2)n1
InChIInChI=1S/C15H23N3O2/c1-10-2-9-15(20)18(17-10)12-5-3-11(4-6-12)16-13-7-8-14(13)19/h2,9,11-14,16,19H,3-8H2,1H3
InChIKeyQTOFGWNZEOQCCJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.15
Rot. Bonds3

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

2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-methylpyridazin-3-one (PubChem CID 126934833) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-methylpyridazin-3-one
PubChem CID126934833
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(NC3CCC3O)CC2)n1
InChIInChI=1S/C15H23N3O2/c1-10-2-9-15(20)18(17-10)12-5-3-11(4-6-12)16-13-7-8-14(13)19/h2,9,11-14,16,19H,3-8H2,1H3
InChIKeyQTOFGWNZEOQCCJ-UHFFFAOYSA-N
XLogP1.15
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-methylpyridazin-3-one (CID 126934833) is 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(C2CCC(NC3CCC3O)CC2)n1.
What is the InChIKey of 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-methylpyridazin-3-one?
The InChIKey is QTOFGWNZEOQCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-2-9-15(20)18(17-10)12-5-3-11(4-6-12)16-13-7-8-14(13)19/h2,9,11-14,16,19H,3-8H2,1H3.
What are the key properties of 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-methylpyridazin-3-one?
2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-methylpyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126934833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).