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

C19H24N4O2 — CID 126936787

IUPAC2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1CCC(NC2CCC2O)CC1
InChIInChI=1S/C19H24N4O2/c24-18-7-5-17(18)21-14-1-3-15(4-2-14)23-19(25)8-6-16(22-23)13-9-11-20-12-10-13/h6,8-12,14-15,17-18,21,24H,1-5,7H2
InChIKeyCANOQMDKKSZNET-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.90
Rot. Bonds4

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

2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126936787) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126936787
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1CCC(NC2CCC2O)CC1
InChIInChI=1S/C19H24N4O2/c24-18-7-5-17(18)21-14-1-3-15(4-2-14)23-19(25)8-6-16(22-23)13-9-11-20-12-10-13/h6,8-12,14-15,17-18,21,24H,1-5,7H2
InChIKeyCANOQMDKKSZNET-UHFFFAOYSA-N
XLogP1.90
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936811
2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936711
2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936768
N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]morpholine-4-sulfonamide
CID 126936628
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936678
6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936730
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide
CID 126936613
6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936683
2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936752
2-[4-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936834
2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936695

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one (CID 126936787) is 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one is O=c1ccc(-c2ccncc2)nn1C1CCC(NC2CCC2O)CC1.
What is the InChIKey of 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is CANOQMDKKSZNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18-7-5-17(18)21-14-1-3-15(4-2-14)23-19(25)8-6-16(22-23)13-9-11-20-12-10-13/h6,8-12,14-15,17-18,21,24H,1-5,7H2.
What are the key properties of 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 340.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126936787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).