4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine

C18H23N9O — CID 146074635

IUPAC4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1nnc2ccc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nn12
InChIInChI=1S/C18H23N9O/c1-14-21-22-16-2-3-17(23-27(14)16)24-6-8-26(9-7-24)18-19-5-4-15(20-18)25-10-12-28-13-11-25/h2-5H,6-13H2,1H3
InChIKeyHGJIKVDPHOIPHR-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.39
Rot. Bonds3

About 4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 146074635) has the molecular formula C18H23N9O and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID146074635
Molecular FormulaC18H23N9O
Molecular Weight381.44 g/mol
Exact Mass381.20
IUPAC Name4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1nnc2ccc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nn12
InChIInChI=1S/C18H23N9O/c1-14-21-22-16-2-3-17(23-27(14)16)24-6-8-26(9-7-24)18-19-5-4-15(20-18)25-10-12-28-13-11-25/h2-5H,6-13H2,1H3
InChIKeyHGJIKVDPHOIPHR-UHFFFAOYSA-N
XLogP0.39
TPSA87.81 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575963
4-[2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074667
4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146078224
4-[6-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 146079475
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 5308432
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
3-methyl-6-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 155975191
4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine
CID 154581408
[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46326690
6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 15107884

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 146074635) is 4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine is Cc1nnc2ccc(N3CCN(c4nccc(N5CCOCC5)n4)CC3)nn12.
What is the InChIKey of 4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is HGJIKVDPHOIPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N9O/c1-14-21-22-16-2-3-17(23-27(14)16)24-6-8-26(9-7-24)18-19-5-4-15(20-18)25-10-12-28-13-11-25/h2-5H,6-13H2,1H3.
What are the key properties of 4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 381.44 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 146074635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).