2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one

C16H18N6O — CID 126934365

IUPAC2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(Nc2nccn3nccc23)CC1
InChIInChI=1S/C16H18N6O/c23-15-2-1-8-19-22(15)13-5-3-12(4-6-13)20-16-14-7-9-18-21(14)11-10-17-16/h1-2,7-13H,3-6H2,(H,17,20)
InChIKeyDXIZECZYRSTRKR-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.88
Rot. Bonds3

About 2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one

2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126934365) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
PubChem CID126934365
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(Nc2nccn3nccc23)CC1
InChIInChI=1S/C16H18N6O/c23-15-2-1-8-19-22(15)13-5-3-12(4-6-13)20-16-14-7-9-18-21(14)11-10-17-16/h1-2,7-13H,3-6H2,(H,17,20)
InChIKeyDXIZECZYRSTRKR-UHFFFAOYSA-N
XLogP1.88
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934706
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937265
N-(azepan-4-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 107173671
2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934424
2-[4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934470
N-(3-chlorocyclobutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104734003
2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934386
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934368
6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126934338
2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934530
2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934512
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731945

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one (CID 126934365) is 2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one is O=c1cccnn1C1CCC(Nc2nccn3nccc23)CC1.
What is the InChIKey of 2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is DXIZECZYRSTRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-15-2-1-8-19-22(15)13-5-3-12(4-6-13)20-16-14-7-9-18-21(14)11-10-17-16/h1-2,7-13H,3-6H2,(H,17,20).
What are the key properties of 2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one?
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 310.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).