4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

C15H19ClN6 — CID 118186340

IUPAC4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCC(C)c1cc(Cl)c(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C15H19ClN6/c1-11(2)13-10-12(16)14(20-19-13)21-6-8-22(9-7-21)15-17-4-3-5-18-15/h3-5,10-11H,6-9H2,1-2H3
InChIKeyCPOVHLDLRPDLCF-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.37
Rot. Bonds3

About 4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 118186340) has the molecular formula C15H19ClN6 and a molecular weight of 318.81 g/mol. Its IUPAC name is 4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
PubChem CID118186340
Molecular FormulaC15H19ClN6
Molecular Weight318.81 g/mol
Exact Mass318.14
IUPAC Name4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCC(C)c1cc(Cl)c(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C15H19ClN6/c1-11(2)13-10-12(16)14(20-19-13)21-6-8-22(9-7-21)15-17-4-3-5-18-15/h3-5,10-11H,6-9H2,1-2H3
InChIKeyCPOVHLDLRPDLCF-UHFFFAOYSA-N
XLogP2.37
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (CID 118186340) is 4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is CC(C)c1cc(Cl)c(N2CCN(c3ncccn3)CC2)nn1.
What is the InChIKey of 4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is CPOVHLDLRPDLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6/c1-11(2)13-10-12(16)14(20-19-13)21-6-8-22(9-7-21)15-17-4-3-5-18-15/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 318.81 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 118186340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).