2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one

C16H25N3O2 — CID 126934500

IUPAC2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(NC2CCCCC2O)CC1
InChIInChI=1S/C16H25N3O2/c20-15-5-2-1-4-14(15)18-12-7-9-13(10-8-12)19-16(21)6-3-11-17-19/h3,6,11-15,18,20H,1-2,4-5,7-10H2
InChIKeyPXAAJHSYTLQYLX-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.62
Rot. Bonds3

About 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one

2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126934500) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126934500
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(NC2CCCCC2O)CC1
InChIInChI=1S/C16H25N3O2/c20-15-5-2-1-4-14(15)18-12-7-9-13(10-8-12)19-16(21)6-3-11-17-19/h3,6,11-15,18,20H,1-2,4-5,7-10H2
InChIKeyPXAAJHSYTLQYLX-UHFFFAOYSA-N
XLogP1.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-{4-[(3,3,3-Trifluoro-2-hydroxypropyl)amino]cyclohexyl}-2,3-dihydropyridazin-3-one
CID 126934515
2-(2-Hydroxycyclohexyl)-2,3-dihydropyridazin-3-one
CID 126857270
2-{4-[(2-Hydroxycyclobutyl)amino]cyclohexyl}-2,3-dihydropyridazin-3-one
CID 126934492
2-{4-[(2-Hydroxycyclopentyl)amino]cyclohexyl}-2,3-dihydropyridazin-3-one
CID 126934501
2-(4-{[(1-Hydroxycyclohexyl)methyl]amino}cyclohexyl)-2,3-dihydropyridazin-3-one
CID 126934542
2-{4-[(2-Hydroxycyclohexyl)amino]cyclohexyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126934845

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one (CID 126934500) is 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one is O=c1cccnn1C1CCC(NC2CCCCC2O)CC1.
What is the InChIKey of 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is PXAAJHSYTLQYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-15-5-2-1-4-14(15)18-12-7-9-13(10-8-12)19-16(21)6-3-11-17-19/h3,6,11-15,18,20H,1-2,4-5,7-10H2.
What are the key properties of 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one?
2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 291.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxycyclohexyl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).