4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine

C19H25N9O — CID 155976480

IUPAC4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
SMILESCc1nc2ncnn2c(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1C
InChIInChI=1S/C19H25N9O/c1-14-15(2)22-19-20-13-21-28(19)18(14)27-7-5-25(6-8-27)16-3-4-17(24-23-16)26-9-11-29-12-10-26/h3-4,13H,5-12H2,1-2H3
InChIKeyWNNCTJPLKMHYFS-UHFFFAOYSA-N
MW395.47 g/mol
LogP0.69
Rot. Bonds3

About 4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine

4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine (PubChem CID 155976480) has the molecular formula C19H25N9O and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
PubChem CID155976480
Molecular FormulaC19H25N9O
Molecular Weight395.47 g/mol
Exact Mass395.22
IUPAC Name4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
SMILESCc1nc2ncnn2c(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1C
InChIInChI=1S/C19H25N9O/c1-14-15(2)22-19-20-13-21-28(19)18(14)27-7-5-25(6-8-27)16-3-4-17(24-23-16)26-9-11-29-12-10-26/h3-4,13H,5-12H2,1-2H3
InChIKeyWNNCTJPLKMHYFS-UHFFFAOYSA-N
XLogP0.69
TPSA87.81 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine?
The IUPAC name of 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) is 4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine is Cc1nc2ncnn2c(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1C.
What is the InChIKey of 4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine?
The InChIKey is WNNCTJPLKMHYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9O/c1-14-15(2)22-19-20-13-21-28(19)18(14)27-7-5-25(6-8-27)16-3-4-17(24-23-16)26-9-11-29-12-10-26/h3-4,13H,5-12H2,1-2H3.
What are the key properties of 4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine?
4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine has a molecular weight of 395.47 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 155976480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).