3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine

C18H30N4 — CID 45185019

IUPAC3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine
SMILESCc1ccc(N2CCC(C3CCN(CC(C)C)CC3)C2)nn1
InChIInChI=1S/C18H30N4/c1-14(2)12-21-9-6-16(7-10-21)17-8-11-22(13-17)18-5-4-15(3)19-20-18/h4-5,14,16-17H,6-13H2,1-3H3
InChIKeyVANDAZLKYWACQC-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.98
Rot. Bonds4

About 3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine

3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine (PubChem CID 45185019) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine
PubChem CID45185019
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine
SMILESCc1ccc(N2CCC(C3CCN(CC(C)C)CC3)C2)nn1
InChIInChI=1S/C18H30N4/c1-14(2)12-21-9-6-16(7-10-21)17-8-11-22(13-17)18-5-4-15(3)19-20-18/h4-5,14,16-17H,6-13H2,1-3H3
InChIKeyVANDAZLKYWACQC-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine?
The IUPAC name of 3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine (CID 45185019) is 3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine.
What is the SMILES notation for 3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine?
The canonical SMILES for 3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine is Cc1ccc(N2CCC(C3CCN(CC(C)C)CC3)C2)nn1.
What is the InChIKey of 3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine?
The InChIKey is VANDAZLKYWACQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-14(2)12-21-9-6-16(7-10-21)17-8-11-22(13-17)18-5-4-15(3)19-20-18/h4-5,14,16-17H,6-13H2,1-3H3.
What are the key properties of 3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine?
3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine has a molecular weight of 302.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyridazine is sourced from PubChem (CID 45185019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).