2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one

C20H23N9O — CID 126864362

IUPAC2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCc1nc2ncnn2c(N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)c1C
InChIInChI=1S/C20H23N9O/c1-14-15(2)24-20-21-13-23-29(20)19(14)26-10-6-16(7-11-26)12-28-18(30)5-4-17(25-28)27-9-3-8-22-27/h3-5,8-9,13,16H,6-7,10-12H2,1-2H3
InChIKeyLEVHZDSMCNLZTH-UHFFFAOYSA-N
MW405.47 g/mol
LogP1.40
Rot. Bonds4

About 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one

2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 126864362) has the molecular formula C20H23N9O and a molecular weight of 405.47 g/mol. Its IUPAC name is 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
PubChem CID126864362
Molecular FormulaC20H23N9O
Molecular Weight405.47 g/mol
Exact Mass405.20
IUPAC Name2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCc1nc2ncnn2c(N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)c1C
InChIInChI=1S/C20H23N9O/c1-14-15(2)24-20-21-13-23-29(20)19(14)26-10-6-16(7-11-26)12-28-18(30)5-4-17(25-28)27-9-3-8-22-27/h3-5,8-9,13,16H,6-7,10-12H2,1-2H3
InChIKeyLEVHZDSMCNLZTH-UHFFFAOYSA-N
XLogP1.40
TPSA99.03 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863934
2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864639
2-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864422
2-[[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864581
6-tert-butyl-3-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944353
6-pyrazol-1-yl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864466
6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864657
2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916136
3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126854380
2-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864421
2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864435
2-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864375

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one (CID 126864362) is 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one is Cc1nc2ncnn2c(N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)c1C.
What is the InChIKey of 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The InChIKey is LEVHZDSMCNLZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O/c1-14-15(2)24-20-21-13-23-29(20)19(14)26-10-6-16(7-11-26)12-28-18(30)5-4-17(25-28)27-9-3-8-22-27/h3-5,8-9,13,16H,6-7,10-12H2,1-2H3.
What are the key properties of 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 405.47 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126864362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).