6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

C18H25N7 — CID 59867504

IUPAC6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCc1cc(N2CCCCC2)c(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C18H25N7/c1-15-14-16(23-8-3-2-4-9-23)17(22-21-15)24-10-12-25(13-11-24)18-19-6-5-7-20-18/h5-7,14H,2-4,8-13H2,1H3
InChIKeyBRYTWCWXIVZRHM-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.89
Rot. Bonds3

About 6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 59867504) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
PubChem CID59867504
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCc1cc(N2CCCCC2)c(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C18H25N7/c1-15-14-16(23-8-3-2-4-9-23)17(22-21-15)24-10-12-25(13-11-24)18-19-6-5-7-20-18/h5-7,14H,2-4,8-13H2,1H3
InChIKeyBRYTWCWXIVZRHM-UHFFFAOYSA-N
XLogP1.89
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 59867376
1-methyl-4-pyrimidin-2-yl-1,4-diazepane;dihydrochloride
CID 122160375
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride
CID 174800980
4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 118186340
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
azepan-1-yl-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109332175
2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
CID 10358975
1-methylsulfonyl-4-pyrimidin-2-yl-1,4-diazepane
CID 30397162
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (CID 59867504) is 6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is Cc1cc(N2CCCCC2)c(N2CCN(c3ncccn3)CC2)nn1.
What is the InChIKey of 6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is BRYTWCWXIVZRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-15-14-16(23-8-3-2-4-9-23)17(22-21-15)24-10-12-25(13-11-24)18-19-6-5-7-20-18/h5-7,14H,2-4,8-13H2,1H3.
What are the key properties of 6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 339.45 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-piperidin-1-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 59867504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).