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

C17H20N6O — CID 126934706

IUPAC6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(Nc3nccn4nccc34)CC2)n1
InChIInChI=1S/C17H20N6O/c1-12-2-7-16(24)23(21-12)14-5-3-13(4-6-14)20-17-15-8-9-19-22(15)11-10-18-17/h2,7-11,13-14H,3-6H2,1H3,(H,18,20)
InChIKeyRBVIYVLVGLDTCC-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.19
Rot. Bonds3

About 6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one

6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126934706) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
PubChem CID126934706
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(Nc3nccn4nccc34)CC2)n1
InChIInChI=1S/C17H20N6O/c1-12-2-7-16(24)23(21-12)14-5-3-13(4-6-14)20-17-15-8-9-19-22(15)11-10-18-17/h2,7-11,13-14H,3-6H2,1H3,(H,18,20)
InChIKeyRBVIYVLVGLDTCC-UHFFFAOYSA-N
XLogP2.19
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one (CID 126934706) is 6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one is Cc1ccc(=O)n(C2CCC(Nc3nccn4nccc34)CC2)n1.
What is the InChIKey of 6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is RBVIYVLVGLDTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-2-7-16(24)23(21-12)14-5-3-13(4-6-14)20-17-15-8-9-19-22(15)11-10-18-17/h2,7-11,13-14H,3-6H2,1H3,(H,18,20).
What are the key properties of 6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one?
6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 324.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).