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

C20H26N8O2 — CID 128971642

IUPAC2-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
SMILESCc1nc2ncnn2c(N2CCCC(n3ncc(N4CCOCC4)cc3=O)C2)c1C
InChIInChI=1S/C20H26N8O2/c1-14-15(2)24-20-21-13-23-28(20)19(14)26-5-3-4-16(12-26)27-18(29)10-17(11-22-27)25-6-8-30-9-7-25/h10-11,13,16H,3-9,12H2,1-2H3
InChIKeySTEJLZXQHKZAGD-UHFFFAOYSA-N
MW410.48 g/mol
LogP0.98
Rot. Bonds3

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

2-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 128971642) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID128971642
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC Name2-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
SMILESCc1nc2ncnn2c(N2CCCC(n3ncc(N4CCOCC4)cc3=O)C2)c1C
InChIInChI=1S/C20H26N8O2/c1-14-15(2)24-20-21-13-23-28(20)19(14)26-5-3-4-16(12-26)27-18(29)10-17(11-22-27)25-6-8-30-9-7-25/h10-11,13,16H,3-9,12H2,1-2H3
InChIKeySTEJLZXQHKZAGD-UHFFFAOYSA-N
XLogP0.98
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95346410
[(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95346412
7-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97066727
2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129325104
5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017023
2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129324382
4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155976480
2-[(3S)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129323681
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 103076139
5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017019
7-[(3R,5S)-3,5-dimethylazepan-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 138053520
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide
CID 154582584

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-3-yl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one (CID 128971642) is 2-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-morpholin-4-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-3-yl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one is Cc1nc2ncnn2c(N2CCCC(n3ncc(N4CCOCC4)cc3=O)C2)c1C.
What is the InChIKey of 2-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is STEJLZXQHKZAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2/c1-14-15(2)24-20-21-13-23-28(20)19(14)26-5-3-4-16(12-26)27-18(29)10-17(11-22-27)25-6-8-30-9-7-25/h10-11,13,16H,3-9,12H2,1-2H3.
What are the key properties of 2-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one?
2-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 410.48 g/mol, XLogP of 0.98, 3 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-3-yl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 128971642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).