3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine

C17H23N7 — CID 122282433

IUPAC3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine
SMILESCc1ccc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)nn1
InChIInChI=1S/C17H23N7/c1-14-4-5-15(21-20-14)23-8-10-24(11-9-23)17-12-16(18-13-19-17)22-6-2-3-7-22/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyKOVHUELDJLZYDY-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.50
Rot. Bonds3

About 3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine

3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine (PubChem CID 122282433) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine
PubChem CID122282433
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine
SMILESCc1ccc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)nn1
InChIInChI=1S/C17H23N7/c1-14-4-5-15(21-20-14)23-8-10-24(11-9-23)17-12-16(18-13-19-17)22-6-2-3-7-22/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyKOVHUELDJLZYDY-UHFFFAOYSA-N
XLogP1.50
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90544737
4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 155980957
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108773558
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155981001
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
4-(4-propan-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 122282402
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
4-(6-methylpyridazin-3-yl)thiomorpholine
CID 143735554
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
5-(6-cyclopropylpyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126858092

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine (CID 122282433) is 3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine is Cc1ccc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)nn1.
What is the InChIKey of 3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The InChIKey is KOVHUELDJLZYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-14-4-5-15(21-20-14)23-8-10-24(11-9-23)17-12-16(18-13-19-17)22-6-2-3-7-22/h4-5,12-13H,2-3,6-11H2,1H3.
What are the key properties of 3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine has a molecular weight of 325.42 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 122282433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).