6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one

C16H19N7O — CID 126934688

IUPAC6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(Nc3ccc4nncn4n3)CC2)n1
InChIInChI=1S/C16H19N7O/c1-11-2-9-16(24)23(20-11)13-5-3-12(4-6-13)18-14-7-8-15-19-17-10-22(15)21-14/h2,7-10,12-13H,3-6H2,1H3,(H,18,21)
InChIKeyJBPFYYPFQHLNNW-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.59
Rot. Bonds3

About 6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one

6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126934688) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one
PubChem CID126934688
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(Nc3ccc4nncn4n3)CC2)n1
InChIInChI=1S/C16H19N7O/c1-11-2-9-16(24)23(20-11)13-5-3-12(4-6-13)18-14-7-8-15-19-17-10-22(15)21-14/h2,7-10,12-13H,3-6H2,1H3,(H,18,21)
InChIKeyJBPFYYPFQHLNNW-UHFFFAOYSA-N
XLogP1.59
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one with MolForge

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Related Compounds

2-[4-[(6-cyclopropylpyrimidin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
CID 126934708
6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one
CID 126934872
6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934706
2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
CID 126934861
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrimidine-2-carboxamide
CID 126934619
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126934601
6-methyl-2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863932
3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one
CID 126934890
(3S)-1-[(4-methylphenyl)methyl]-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)pyrrolidin-2-one
CID 129487980
2-[4-[(1-methyl-6-oxopyridazin-3-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935562
6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one
CID 126934785
1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934624

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one (CID 126934688) is 6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one is Cc1ccc(=O)n(C2CCC(Nc3ccc4nncn4n3)CC2)n1.
What is the InChIKey of 6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is JBPFYYPFQHLNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-11-2-9-16(24)23(20-11)13-5-3-12(4-6-13)18-14-7-8-15-19-17-10-22(15)21-14/h2,7-10,12-13H,3-6H2,1H3,(H,18,21).
What are the key properties of 6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one?
6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 325.38 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).