6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

C20H25N7O — CID 134161453

IUPAC6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(N3CCC(COc4cc(C5CCC5)ncn4)CC3)nn12
InChIInChI=1S/C20H25N7O/c1-14-23-24-18-5-6-19(25-27(14)18)26-9-7-15(8-10-26)12-28-20-11-17(21-13-22-20)16-3-2-4-16/h5-6,11,13,15-16H,2-4,7-10,12H2,1H3
InChIKeyLMCDHYKGZOAPKY-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.79
Rot. Bonds5

About 6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134161453) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134161453
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(N3CCC(COc4cc(C5CCC5)ncn4)CC3)nn12
InChIInChI=1S/C20H25N7O/c1-14-23-24-18-5-6-19(25-27(14)18)26-9-7-15(8-10-26)12-28-20-11-17(21-13-22-20)16-3-2-4-16/h5-6,11,13,15-16H,2-4,7-10,12H2,1H3
InChIKeyLMCDHYKGZOAPKY-UHFFFAOYSA-N
XLogP2.79
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]imidazo[1,2-b]pyridazine
CID 134161454
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
4-cyclobutyl-6-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methoxy]pyrimidine
CID 134161388
2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 134160609
2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126851790
[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 134161159
N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890840
6-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazine
CID 155974869
5,6-dimethyl-3-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941167
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
4-[[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602822
3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 97009492

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 134161453) is 6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2ccc(N3CCC(COc4cc(C5CCC5)ncn4)CC3)nn12.
What is the InChIKey of 6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LMCDHYKGZOAPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-14-23-24-18-5-6-19(25-27(14)18)26-9-7-15(8-10-26)12-28-20-11-17(21-13-22-20)16-3-2-4-16/h5-6,11,13,15-16H,2-4,7-10,12H2,1H3.
What are the key properties of 6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 379.47 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134161453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).